[3-carboxy-2-(2-methylpropoxy)-4-oxidanylidene-5-sulfanyl-heptyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-2-(2-methylpropoxy)-4-oxidanylidene-5-sulfanyl-heptyl]-trimethyl-azanium Openeye Name: (3-carboxy-2-isobutoxy-4-oxo-5-sulfanyl-heptyl)-trimethyl-ammonium CAS Name: [3-carboxy-5-mercapto-2-(2-methylpropoxy)-4-oxoheptyl]-trimethylammonium IUPAC Name: [3-carboxy-2-(2-methylpropoxy)-4-oxo-5-sulfanylheptyl]-trimethylazanium Traditional Name: (3-carboxy-2-isobutoxy-4-keto-5-mercapto-heptyl)-trimethyl-ammonium Formula: C15H30NO4S+ MolecularWeight: 320.468

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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)/p+1