[4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-oxidanyl-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-oxidanyl-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-hydroxy-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-5-hydroxy-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium; 2,2,2-trifluoroacetate IUPAC Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-hydroxyindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium; 2,2,2-trifluoroacetate Traditional Name: [4-[[[1-(3-amidinobenzyl)-5-hydroxy-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate Formula: C29H30F3N5O4 MolecularWeight: 569.57481

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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)O.C(=O)(C(F)(F)F)[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)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H29N5O2.C2HF3O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29;3-2(4,5)1(6)7/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34);(H,6,7)