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

Systemtic Name: trimethyl-[4-(2-methylpropoxy)-4-oxidanylidene-2-[(2R)-2-sulfanylpropanoyl]oxy-butyl]azanium chloride Openeye Name: [4-isobutoxy-4-oxo-2-[(2R)-2-sulfanylpropanoyl]oxy-butyl]-trimethyl-ammonium chloride CAS Name: [2-[(2R)-2-mercapto-1-oxopropoxy]-4-(2-methylpropoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: trimethyl-[4-(2-methylpropoxy)-4-oxo-2-[(2R)-2-sulfanylpropanoyl]oxybutyl]azanium chloride Traditional Name: [4-isobutoxy-4-keto-2-[(2R)-2-mercaptopropanoyl]oxy-butyl]-trimethyl-ammonium chloride Formula: C14H28ClNO4S MolecularWeight: 341.89442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27NO4S.ClH/c1-10(2)9-18-13(16)7-12(8-15(4,5)6)19-14(17)11(3)20;/h10-12H,7-9H2,1-6H3;1H/t11-,12?;/m1./s1