N-(cyanomethyl)-1-(cyclopentylmethyl)-5-methyl-2-oxidanylidene-3-(1H-pyrazol-4-yl)pyridin-1-ium-1-carboxamide

Systemtic Name: N-(cyanomethyl)-1-(cyclopentylmethyl)-5-methyl-2-oxidanylidene-3-(1H-pyrazol-4-yl)pyridin-1-ium-1-carboxamide Openeye Name: N-(cyanomethyl)-1-(cyclopentylmethyl)-5-methyl-2-oxo-3-(1H-pyrazol-4-yl)pyridin-1-ium-1-carboxamide CAS Name: N-(cyanomethyl)-1-(cyclopentylmethyl)-5-methyl-2-oxo-3-(1H-pyrazol-4-yl)-1-pyridin-1-iumcarboxamide IUPAC Name: N-(cyanomethyl)-1-(cyclopentylmethyl)-5-methyl-2-oxo-3-(1H-pyrazol-4-yl)pyridin-1-ium-1-carboxamide Traditional Name: N-(cyanomethyl)-1-(cyclopentylmethyl)-2-keto-5-methyl-3-(1H-pyrazol-4-yl)pyridin-1-ium-1-carboxamide Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](C(=O)C(=C1)C2=CNN=C2)(CC3CCCC3)C(=O)NCC#N

Isomeric SMILES

CC1=C[N+](C(=O)C(=C1)C2=CNN=C2)(CC3CCCC3)C(=O)NCC#N

InChI

InChI=1S/C18H21N5O2/c1-13-8-16(15-9-21-22-10-15)17(24)23(11-13,18(25)20-7-6-19)12-14-4-2-3-5-14/h8-11,14H,2-5,7,12H2,1H3,(H-,20,21,22,25)/p+1