[(4S)-4-azanyl-5-[4-[4-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxan-4-yl]carbonylpiperazin-1-yl]-5-oxidanylidene-pentyl]-trimethyl-azanium

Systemtic Name: [(4S)-4-azanyl-5-[4-[4-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxan-4-yl]carbonylpiperazin-1-yl]-5-oxidanylidene-pentyl]-trimethyl-azanium Openeye Name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]tetrahydropyran-4-carbonyl]piperazin-1-yl]-5-oxo-pentyl]-trimethyl-ammonium CAS Name: [(4S)-4-amino-5-[4-[[4-[[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonylamino]-4-oxanyl]-oxomethyl]-1-piperazinyl]-5-oxopentyl]-trimethylammonium IUPAC Name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium Traditional Name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]tetrahydropyran-4-carbonyl]piperazino]-5-keto-pentyl]-trimethyl-ammonium Formula: C35H47Cl2N6O6S+ MolecularWeight: 750.75528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)C(=O)C(CCC[N+](C)(C)C)N)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)C(=O)[C@H](CCC[N+](C)(C)C)N)Cl)C=C1

InChI

InChI=1S/C35H47Cl2N6O6S/c1-24-10-11-25-7-5-9-29(32(25)39-24)49-23-26-27(36)12-13-30(31(26)37)50(46,47)40-35(14-21-48-22-15-35)34(45)42-18-16-41(17-19-42)33(44)28(38)8-6-20-43(2,3)4/h5,7,9-13,28,40H,6,8,14-23,38H2,1-4H3/q+1/t28-/m0/s1