N-[2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-oxidanylidene-pyridin-1-ium-1-yl]-3-methyl-benzamide

Systemtic Name: N-[2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-oxidanylidene-pyridin-1-ium-1-yl]-3-methyl-benzamide Openeye Name: N-[2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-oxo-pyridin-1-ium-1-yl]-3-methyl-benzamide CAS Name: N-[2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-oxo-1-pyridin-1-iumyl]-3-methylbenzamide IUPAC Name: N-[2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-oxopyridin-1-ium-1-yl]-3-methylbenzamide Traditional Name: N-[2-butyl-1-[4-(2-cyanophenyl)benzyl]-6-keto-pyridin-1-ium-1-yl]-3-methyl-benzamide Formula: C31H30N3O2+ MolecularWeight: 476.5888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCC1=CC=CC(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)NC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C31H29N3O2/c1-3-4-12-28-13-8-15-30(35)34(28,33-31(36)26-11-7-9-23(2)20-26)22-24-16-18-25(19-17-24)29-14-6-5-10-27(29)21-32/h5-11,13-20H,3-4,12,22H2,1-2H3/p+1