[4-[[[5-azanyl-1-[(3-carbamimidoylphenyl)methyl]indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium

Systemtic Name: [4-[[[5-azanyl-1-[(3-carbamimidoylphenyl)methyl]indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium Openeye Name: [4-[[[5-amino-1-[(3-carbamimidoylphenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium CAS Name: [4-[[[[5-amino-1-[(3-carbamimidoylphenyl)methyl]-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium IUPAC Name: [4-[[[5-amino-1-[(3-carbamimidoylphenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium Traditional Name: [4-[[[1-(3-amidinobenzyl)-5-amino-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium Formula: C27H31N6O+ MolecularWeight: 455.57464

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)N

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)N

InChI

InChI=1S/C27H30N6O/c1-33(2,3)23-10-7-18(8-11-23)16-31-27(34)25-15-21-14-22(28)9-12-24(21)32(25)17-19-5-4-6-20(13-19)26(29)30/h4-15H,16-17,28H2,1-3H3,(H3-,29,30,31,34)/p+1