1-[(3-cyanophenyl)methyl]-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide

Systemtic Name: 1-[(3-cyanophenyl)methyl]-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Openeye Name: 1-[(3-cyanophenyl)methyl]-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide CAS Name: 1-[(3-cyanophenyl)methyl]-N-[2-(1-methyl-4-pyridin-1-iumyl)ethyl]-2-indolecarboxamide IUPAC Name: 1-[(3-cyanophenyl)methyl]-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Traditional Name: 1-(3-cyanobenzyl)-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Formula: C25H23N4O+ MolecularWeight: 395.47632

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CCNC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

Isomeric SMILES

C[N+]1=CC=C(C=C1)CCNC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H22N4O/c1-28-13-10-19(11-14-28)9-12-27-25(30)24-16-22-7-2-3-8-23(22)29(24)18-21-6-4-5-20(15-21)17-26/h2-8,10-11,13-16H,9,12,18H2,1H3/p+1