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

Systemtic Name: 1-[(3-cyanophenyl)methyl]-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenyl-methyl]indole-2-carboxamide Openeye Name: 1-[(3-cyanophenyl)methyl]-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenyl-methyl]indole-2-carboxamide CAS Name: 1-[(3-cyanophenyl)methyl]-4-methoxy-N-[(1-methyl-4-pyridin-1-iumyl)-phenylmethyl]-2-indolecarboxamide IUPAC Name: 1-[(3-cyanophenyl)methyl]-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenylmethyl]indole-2-carboxamide Traditional Name: 1-(3-cyanobenzyl)-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenyl-methyl]indole-2-carboxamide Formula: C31H27N4O2+ MolecularWeight: 487.57168

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C#N)C=CC=C4OC

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C#N)C=CC=C4OC

InChI

InChI=1S/C31H26N4O2/c1-34-16-14-25(15-17-34)30(24-10-4-3-5-11-24)33-31(36)28-19-26-27(12-7-13-29(26)37-2)35(28)21-23-9-6-8-22(18-23)20-32/h3-19,30H,21H2,1-2H3/p+1