(3-carboxy-2-methoxy-4-oxidanylidene-8-sulfanyl-octyl)-trimethyl-azanium

Systemtic Name: (3-carboxy-2-methoxy-4-oxidanylidene-8-sulfanyl-octyl)-trimethyl-azanium Openeye Name: (3-carboxy-2-methoxy-4-oxo-8-sulfanyl-octyl)-trimethyl-ammonium CAS Name: (3-carboxy-8-mercapto-2-methoxy-4-oxooctyl)-trimethylammonium IUPAC Name: (3-carboxy-2-methoxy-4-oxo-8-sulfanyloctyl)-trimethylazanium Traditional Name: (3-carboxy-4-keto-8-mercapto-2-methoxy-octyl)-trimethyl-ammonium Formula: C13H26NO4S+ MolecularWeight: 292.41484

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)CCCCS)C(=O)O)OC

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)CCCCS)C(=O)O)OC

InChI

InChI=1S/C13H25NO4S/c1-14(2,3)9-11(18-4)12(13(16)17)10(15)7-5-6-8-19/h11-12H,5-9H2,1-4H3,(H-,16,17,19)/p+1