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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-ethyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=[N+](C=C1)C)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CCN(CC1=CC=[N+](C=C1)C)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H28N5O/c1-3-30(17-19-11-13-29(2)14-12-19)26(32)24-16-21-8-4-5-10-23(21)31(24)18-20-7-6-9-22(15-20)25(27)28/h4-16H,3,17-18H2,1-2H3,(H3,27,28)/q+1