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

Systemtic Name: [(3S)-6-azanyl-1-[4-[1-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]carbonylpiperazin-1-yl]-1-oxidanylidene-hexan-3-yl]-trimethyl-azanium Openeye Name: [(1S)-4-amino-1-[2-[4-[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-2-oxo-ethyl]butyl]-trimethyl-ammonium CAS Name: [(3S)-6-amino-1-[4-[[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]-oxomethyl]-1-piperazinyl]-1-oxohexan-3-yl]-trimethylammonium IUPAC Name: [(3S)-6-amino-1-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-1-oxohexan-3-yl]-trimethylazanium Traditional Name: [(1S)-4-amino-1-[2-[4-[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazino]-2-keto-ethyl]butyl]-trimethyl-ammonium Formula: C37H51Cl2N6O5S+ MolecularWeight: 762.80904

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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)CC(CCCN)[N+](C)(C)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C37H51Cl2N6O5S/c1-25-22-26(2)41-35-28(25)11-8-12-31(35)50-24-29-30(38)13-14-32(34(29)39)51(48,49)42-37(15-6-7-16-37)36(47)44-20-18-43(19-21-44)33(46)23-27(10-9-17-40)45(3,4)5/h8,11-14,22,27,42H,6-7,9-10,15-21,23-24,40H2,1-5H3/q+1/t27-/m0/s1