trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxidanylidene-2-(4-sulfanylbutanoyloxy)butyl]azanium chloride

Systemtic Name: trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxidanylidene-2-(4-sulfanylbutanoyloxy)butyl]azanium chloride Openeye Name: [(2R)-4-isobutoxy-4-oxo-2-(4-sulfanylbutanoyloxy)butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-2-(4-mercapto-1-oxobutoxy)-4-(2-methylpropoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxo-2-(4-sulfanylbutanoyloxy)butyl]azanium chloride Traditional Name: [(2R)-4-isobutoxy-4-keto-2-(4-mercaptobutanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C15H30ClNO4S MolecularWeight: 355.921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC(C[N+](C)(C)C)OC(=O)CCCS.[Cl-]

Isomeric SMILES

CC(C)COC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCS.[Cl-]

InChI

InChI=1S/C15H29NO4S.ClH/c1-12(2)11-19-15(18)9-13(10-16(3,4)5)20-14(17)7-6-8-21;/h12-13H,6-11H2,1-5H3;1H/t13-;/m1./s1