[(2S)-1-[4-[1-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]carbonylpiperazin-1-yl]-1-oxidanylidene-6-(trimethylazaniumyl)hexan-2-yl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-1-[4-[1-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]carbonylpiperazin-1-yl]-1-oxidanylidene-6-(trimethylazaniumyl)hexan-2-yl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-1-[4-[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazine-1-carbonyl]-5-(trimethylammonio)pentyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-1-[4-[[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]-oxomethyl]-1-piperazinyl]-1-oxo-6-(trimethylammonio)hexan-2-yl]-trimethylammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-1-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-1-oxo-6-(trimethylazaniumyl)hexan-2-yl]-trimethylazanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-1-[4-[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazine-1-carbonyl]-5-(trimethylammonio)pentyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate Formula: C44H58Cl2F6N6O9S MolecularWeight: 1031.927539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=O)C(CCCC[N+](C)(C)C)[N+](C)(C)C)Cl)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=O)[C@H](CCCC[N+](C)(C)C)[N+](C)(C)C)Cl)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C40H58Cl2N6O5S.2C2HF3O2/c1-28-26-29(2)43-37-30(28)14-13-16-34(37)53-27-31-32(41)17-18-35(36(31)42)54(51,52)44-40(19-10-11-20-40)39(50)46-23-21-45(22-24-46)38(49)33(48(6,7)8)15-9-12-25-47(3,4)5;2*3-2(4,5)1(6)7/h13-14,16-18,26,33,44H,9-12,15,19-25,27H2,1-8H3;2*(H,6,7)/q+2;;/p-2/t33-;;/m0../s1