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

Systemtic Name: trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxidanylidene-2-(4-sulfanylbutanoyloxy)butyl]azanium Openeye Name: [(2R)-4-isobutoxy-4-oxo-2-(4-sulfanylbutanoyloxy)butyl]-trimethyl-ammonium CAS Name: [(2R)-2-(4-mercapto-1-oxobutoxy)-4-(2-methylpropoxy)-4-oxobutyl]-trimethylammonium IUPAC Name: trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxo-2-(4-sulfanylbutanoyloxy)butyl]azanium Traditional Name: [(2R)-4-isobutoxy-4-keto-2-(4-mercaptobutanoyloxy)butyl]-trimethyl-ammonium Formula: C15H30NO4S+ MolecularWeight: 320.468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO4S/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/p+1/t13-/m1/s1