[4-[[[1-[(3-carbamimidoylphenyl)methyl]indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium

Systemtic Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium Openeye Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium CAS Name: [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium IUPAC Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium Traditional Name: [4-[[[1-(3-amidinobenzyl)indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O/c1-32(2,3)23-13-11-19(12-14-23)17-30-27(33)25-16-21-8-4-5-10-24(21)31(25)18-20-7-6-9-22(15-20)26(28)29/h4-16H,17-18H2,1-3H3,(H3-,28,29,30,33)/p+1