4-[(R)-{[1-(anthracen-9-yl)but-3-en-2-yl]oxy}[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinolin-1-ium bromide

Compound number:
MolPort-039-010-293
CAS number: 200132-54-3
IUPAC:
4-[(R)-{[1-(anthracen-9-yl)but-3-en-2-yl]oxy}[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinolin-1-ium bromide
IUPAC traditional:
4-[(R)-{[1-(anthracen-9-yl)but-3-en-2-yl]oxy}[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinolin-1-ium bromide
SMILES:
[Br-].C=CC(Cc1c2ccccc2cc2ccccc12)O[C@@H]([C@@H]1CC2CCN1CC2C=C)c1cc[nH+]c2ccccc12 |r|
InChI key:
PJJLJGALGZFRKQ-GEORNKLJSA-N
Molecular formula:
C37H37BrN2O
Molecular weight: 605.62
Solubility: not available

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Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: n/a
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Catalog: Building blocks Ships out: 7 business days Purity: 90% Tech.
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1 g February 28, 2020 86.00 USD
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5 g February 28, 2020 240.00 USD
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S&H to USA: 80.00 USD
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Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 95%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
1 g March 4, 2020 101.00 USD
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5 g March 4, 2020 265.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-010-293
CAS number: 200132-54-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000238730439
ZINC000238730440
ZINC000250518610
ZINC000250518615
MFCD01632446
4-((1R)-((1-(Anthracen-9-yl)but-3-en-2-yl)oxy)((2S)-5-vinylquinuclidin-2-yl)methyl)quinolin-1-ium bromide
Cinchonanium, 1-(9-anthracenylmethyl)-9-(2-propenyloxy)-, bromide, (8??,9R)-
Cinchonanium, 1-(9-anthracenylmethyl)-9-(2-propenyloxy)-, bromide, (8α,9R)-
Cinchonanium, 1-(9-anthracenylmethyl)-9-(2-propenyloxy)-, bromide,(8a,9R)-
O-Allyl-1-(anthracen-9-ylmethyl)cinchonidinium bromide

InChI
InChI: 1S/C37H36N2O.BrH/c1-3-25-24-39-20-18-26(25)22-36(39)37(33-17-19-38-35-16-10-9-15-32(33)35)40-29(4-2)23-34-30-13-7-5-11-27(30)21-28-12-6-8-14-31(28)34;/h3-17,19,21,25-26,29,36-37H,1-2,18,20,22-24H2;1H/t25?,26?,29?,36-,37+;/m0./s1
InChI key: PJJLJGALGZFRKQ-GEORNKLJSA-N

Calculated Properties
Molecular formula: C37H37BrN2O
Molecular weight: 605.62

Other

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2020 MolPort, v3.4, release date 13-02-2020 13:00 (+0200). All rights reserved.
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