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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C=CC1=O)C2=CNN=C2)C(=O)N(CC#N)CC3CCCC3

Isomeric SMILES

C[N+]1(C=C(C=CC1=O)C2=CNN=C2)C(=O)N(CC#N)CC3CCCC3

InChI

InChI=1S/C18H22N5O2/c1-23(13-15(6-7-17(23)24)16-10-20-21-11-16)18(25)22(9-8-19)12-14-4-2-3-5-14/h6-7,10-11,13-14H,2-5,9,12H2,1H3,(H,20,21)/q+1