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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenyl-methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenyl-methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[(1-methyl-4-pyridin-1-iumyl)-phenylmethyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenylmethyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-methoxy-N-[(1-methylpyridin-1-ium-4-yl)-phenyl-methyl]indole-2-carboxamide Formula: C31H30N5O2+ MolecularWeight: 504.6022

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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)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)N)C=CC=C4OC

InChI

InChI=1S/C31H29N5O2/c1-35-16-14-23(15-17-35)29(22-9-4-3-5-10-22)34-31(37)27-19-25-26(12-7-13-28(25)38-2)36(27)20-21-8-6-11-24(18-21)30(32)33/h3-19,29H,20H2,1-2H3,(H3-,32,33,34,37)/p+1