2-[1-(2-methylpropoxy)-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-4-sulfanyl-hexanoate

Systemtic Name: 2-[1-(2-methylpropoxy)-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-4-sulfanyl-hexanoate Openeye Name: 2-[1-isobutoxy-2-(trimethylammonio)ethyl]-3-oxo-4-sulfanyl-hexanoate CAS Name: 4-mercapto-2-[1-(2-methylpropoxy)-2-(trimethylammonio)ethyl]-3-oxohexanoate IUPAC Name: 2-[1-(2-methylpropoxy)-2-(trimethylazaniumyl)ethyl]-3-oxo-4-sulfanylhexanoate Traditional Name: 2-[1-isobutoxy-2-(trimethylammonio)ethyl]-3-keto-4-mercapto-hexanoate Formula: C15H29NO4S MolecularWeight: 319.46006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(C(C[N+](C)(C)C)OCC(C)C)C(=O)[O-])S

Isomeric SMILES

CCC(C(=O)C(C(C[N+](C)(C)C)OCC(C)C)C(=O)[O-])S

InChI

InChI=1S/C15H29NO4S/c1-7-12(21)14(17)13(15(18)19)11(8-16(4,5)6)20-9-10(2)3/h10-13H,7-9H2,1-6H3,(H-,18,19,21)