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

Systemtic Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-methoxy-indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-methoxy-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-5-methoxy-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium; 2,2,2-trifluoroacetate IUPAC Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-methoxyindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium; 2,2,2-trifluoroacetate Traditional Name: [4-[[[1-(3-amidinobenzyl)-5-methoxy-indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate Formula: C30H32F3N5O4 MolecularWeight: 583.60139

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

InChI

InChI=1S/C28H31N5O2.C2HF3O2/c1-33(2,3)23-10-8-19(9-11-23)17-31-28(34)26-16-22-15-24(35-4)12-13-25(22)32(26)18-20-6-5-7-21(14-20)27(29)30;3-2(4,5)1(6)7/h5-16H,17-18H2,1-4H3,(H3-,29,30,31,34);(H,6,7)