(5-bromanyl-3-carboxy-4-oxidanylidene-2-sulfanyl-heptadecyl)-trimethyl-azanium

Systemtic Name: (5-bromanyl-3-carboxy-4-oxidanylidene-2-sulfanyl-heptadecyl)-trimethyl-azanium Openeye Name: (5-bromo-3-carboxy-4-oxo-2-sulfanyl-heptadecyl)-trimethyl-ammonium CAS Name: (5-bromo-3-carboxy-2-mercapto-4-oxoheptadecyl)-trimethylammonium IUPAC Name: (5-bromo-3-carboxy-4-oxo-2-sulfanylheptadecyl)-trimethylazanium Traditional Name: (5-bromo-3-carboxy-4-keto-2-mercapto-heptadecyl)-trimethyl-ammonium Formula: C21H41BrNO3S+ MolecularWeight: 467.52414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C(C(C[N+](C)(C)C)S)C(=O)O)Br

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C(C(C[N+](C)(C)C)S)C(=O)O)Br

InChI

InChI=1S/C21H40BrNO3S/c1-5-6-7-8-9-10-11-12-13-14-15-17(22)20(24)19(21(25)26)18(27)16-23(2,3)4/h17-19H,5-16H2,1-4H3,(H-,25,26,27)/p+1