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

Systemtic Name: 1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[3-(4-carbamimidoylphenyl)prop-2-ynyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-[3-(4-amidinophenyl)prop-2-ynyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C26H24N5O+ MolecularWeight: 422.50166

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3N2CC#CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C[N+]1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3N2CC#CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H23N5O/c1-30-15-12-20(13-16-30)18-29-26(32)24-17-22-6-2-3-7-23(22)31(24)14-4-5-19-8-10-21(11-9-19)25(27)28/h2-3,6-13,15-17H,14,18H2,1H3,(H3-,27,28,29,32)/p+1