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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(1-methylquinolin-1-ium-4-yl)methyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(1-methylquinolin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(1-methyl-4-quinolin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(1-methylquinolin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-[(1-methylquinolin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C28H26N5O2+ MolecularWeight: 464.53834

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)CNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC=C4O

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)CNC(=O)C3=CC4=C(N3CC5=CC=CC(=C5)C(=N)N)C=CC=C4O

InChI

InChI=1S/C28H25N5O2/c1-32-13-12-20(21-8-2-3-9-23(21)32)16-31-28(35)25-15-22-24(10-5-11-26(22)34)33(25)17-18-6-4-7-19(14-18)27(29)30/h2-15H,16-17H2,1H3,(H4-,29,30,31,34,35)/p+1