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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[2-(1-methyl-4-pyridin-1-iumyl)ethyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O/c1-29-13-10-18(11-14-29)9-12-28-25(31)23-16-20-6-2-3-8-22(20)30(23)17-19-5-4-7-21(15-19)24(26)27/h2-8,10-11,13-16H,9,12,17H2,1H3,(H3-,26,27,28,31)/p+1