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

Systemtic Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]indol-2-yl]carbonylamino]methyl]phenyl]methyl-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]methyl-trimethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-2-indolyl]-oxomethyl]amino]methyl]phenyl]methyl-trimethylammonium; 2,2,2-trifluoroacetate IUPAC Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]methyl-trimethylazanium; 2,2,2-trifluoroacetate Traditional Name: [4-[[[1-(3-amidinobenzyl)indole-2-carbonyl]amino]methyl]benzyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate Formula: C30H32F3N5O3 MolecularWeight: 567.60199

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C28H31N5O.C2HF3O2/c1-33(2,3)19-21-13-11-20(12-14-21)17-31-28(34)26-16-23-8-4-5-10-25(23)32(26)18-22-7-6-9-24(15-22)27(29)30;3-2(4,5)1(6)7/h4-16H,17-19H2,1-3H3,(H3-,29,30,31,34);(H,6,7)