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

Systemtic Name: 1-[(4-carbamimidoylphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(4-carbamimidoylphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[(4-carbamimidoylphenyl)methyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(4-carbamimidoylphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(4-amidinobenzyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C24H24N5O+ MolecularWeight: 398.48026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O/c1-28-12-10-17(11-13-28)15-27-24(30)22-14-20-4-2-3-5-21(20)29(22)16-18-6-8-19(9-7-18)23(25)26/h2-14H,15-16H2,1H3,(H3-,25,26,27,30)/p+1