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

Systemtic Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-nitro-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium Openeye Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-nitro-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium CAS Name: [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-5-nitro-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium IUPAC Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-nitroindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium Traditional Name: [4-[[[1-(3-amidinobenzyl)-5-nitro-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium Formula: C27H29N6O3+ MolecularWeight: 485.55756

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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+](=O)[O-]

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+](=O)[O-]

InChI

InChI=1S/C27H28N6O3/c1-33(2,3)23-10-7-18(8-11-23)16-30-27(34)25-15-21-14-22(32(35)36)9-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H3-,28,29,30,34)/p+1