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

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

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

Isomeric SMILES

C[C@@H](C1=CC=[N+](C=C1)C)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H22N4O/c1-18(21-10-12-28(2)13-11-21)27-25(30)24-15-22-8-3-4-9-23(22)29(24)17-20-7-5-6-19(14-20)16-26/h3-15,18H,17H2,1-2H3/p+1/t18-/m0/s1