[3-carboxy-2-(2-methylpropoxy)-4-oxidanylidene-7-sulfanyl-heptyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-2-(2-methylpropoxy)-4-oxidanylidene-7-sulfanyl-heptyl]-trimethyl-azanium Openeye Name: (3-carboxy-2-isobutoxy-4-oxo-7-sulfanyl-heptyl)-trimethyl-ammonium CAS Name: [3-carboxy-7-mercapto-2-(2-methylpropoxy)-4-oxoheptyl]-trimethylammonium IUPAC Name: [3-carboxy-2-(2-methylpropoxy)-4-oxo-7-sulfanylheptyl]-trimethylazanium Traditional Name: (3-carboxy-2-isobutoxy-4-keto-7-mercapto-heptyl)-trimethyl-ammonium Formula: C15H30NO4S+ MolecularWeight: 320.468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO4S/c1-11(2)10-20-13(9-16(3,4)5)14(15(18)19)12(17)7-6-8-21/h11,13-14H,6-10H2,1-5H3,(H-,18,19,21)/p+1