1-(5-cyanopyridin-1-ium-2-yl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide Openeye Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridin-1-iumyl)-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide Traditional Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-(3,4-dimethylphenyl)isonipecotamide Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C#N)C

InChI

InChI=1S/C20H22N4O/c1-14-3-5-18(11-15(14)2)23-20(25)17-7-9-24(10-8-17)19-6-4-16(12-21)13-22-19/h3-6,11,13,17H,7-10H2,1-2H3,(H,23,25)/p+1