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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[2-(1-methyl-4-pyridin-1-iumyl)ethyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-methoxy-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3OC

Isomeric SMILES

C[N+]1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3OC

InChI

InChI=1S/C26H27N5O2/c1-30-13-10-18(11-14-30)9-12-29-26(32)23-16-21-22(7-4-8-24(21)33-2)31(23)17-19-5-3-6-20(15-19)25(27)28/h3-8,10-11,13-16H,9,12,17H2,1-2H3,(H3-,27,28,29,32)/p+1