[(4S)-4-azanyl-5-[4-[4-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidin-4-yl]carbonylpiperazin-1-yl]-5-oxidanylidene-pentyl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(4S)-4-azanyl-5-[4-[4-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidin-4-yl]carbonylpiperazin-1-yl]-5-oxidanylidene-pentyl]-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]piperidine-4-carbonyl]piperazin-1-yl]-5-oxo-pentyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [(4S)-4-amino-5-[4-[[4-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonylamino]-4-piperidinyl]-oxomethyl]-1-piperazinyl]-5-oxopentyl]-trimethylammonium; 2,2,2-trifluoroacetate IUPAC Name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidine-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium; 2,2,2-trifluoroacetate Traditional Name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]isonipecotoyl]piperazino]-5-keto-pentyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate Formula: C38H50Cl2F3N7O7S MolecularWeight: 876.81251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCNCC4)C(=O)N5CCN(CC5)C(=O)C(CCC[N+](C)(C)C)N)Cl)C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCNCC4)C(=O)N5CCN(CC5)C(=O)[C@H](CCC[N+](C)(C)C)N)Cl)C.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C36H50Cl2N7O5S.C2HF3O2/c1-24-22-25(2)41-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(48,49)42-36(13-15-40-16-14-36)35(47)44-19-17-43(18-20-44)34(46)29(39)9-7-21-45(3,4)5;3-2(4,5)1(6)7/h6,8,10-12,22,29,40,42H,7,9,13-21,23,39H2,1-5H3;(H,6,7)/q+1;/p-1/t29-;/m0./s1