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

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

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

Isomeric SMILES

C[C@@H](C1=CC=[N+](C=C1)C)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H25N5O/c1-17(19-10-12-29(2)13-11-19)28-25(31)23-15-20-7-3-4-9-22(20)30(23)16-18-6-5-8-21(14-18)24(26)27/h3-15,17H,16H2,1-2H3,(H3-,26,27,28,31)/p+1/t17-/m0/s1