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(Z)-N-(3,4-dihydro-2H-1-benzopyran-4-yl)-N''-{[(2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl]methyl}guanidine hydroiodide



Compound number:
MolPort-041-469-982
IUPAC:
(Z)-N-(3,4-dihydro-2H-1-benzopyran-4-yl)-N''-{[(2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl]methyl}guanidine hydroiodide
IUPAC traditional:
(Z)-N-(3,4-dihydro-2H-1-benzopyran-4-yl)-N''-{[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl}guanidine hydroiodide
SMILES:
I.CN1CCC[C@@H](C\N=C(\N)NC2CCOc3ccccc23)[C@@H]1c1ccnn1C
InChI key:
UHGSEALVCJNOGG-XOLKXQGLSA-N
Molecular formula:
C21H31IN6O
Molecular weight: 510.424
Solubility: not available

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Compound Identifiers
Compound number: MolPort-041-469-982

Names, Synonyms and 3rd Party Identifiers

InChI
InChI: 1S/C21H30N6O.HI/c1-26-12-5-6-15(20(26)18-9-11-24-27(18)2)14-23-21(22)25-17-10-13-28-19-8-4-3-7-16(17)19;/h3-4,7-9,11,15,17,20H,5-6,10,12-14H2,1-2H3,(H3,22,23,25);1H/t15-,17?,20+;/m0./s1
InChI key: UHGSEALVCJNOGG-XOLKXQGLSA-N

Calculated Properties
Molecular formula: C21H31IN6O
Molecular weight: 510.424

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