[4-[[[1-[(3-carbamimidoylphenyl)methyl]-3-chloranyl-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-3-chloranyl-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-3-chloro-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-3-chloro-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium; 2,2,2-trifluoroacetate IUPAC Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-3-chloroindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium; 2,2,2-trifluoroacetate Traditional Name: [4-[[[1-(3-amidinobenzyl)-3-chloro-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate Formula: C29H29ClF3N5O3 MolecularWeight: 588.02047

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N)Cl.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N)Cl.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H28ClN5O.C2HF3O2/c1-33(2,3)21-13-11-18(12-14-21)16-31-27(34)25-24(28)22-9-4-5-10-23(22)32(25)17-19-7-6-8-20(15-19)26(29)30;3-2(4,5)1(6)7/h4-15H,16-17H2,1-3H3,(H3-,29,30,31,34);(H,6,7)