dodecan-2-yl-dimethyl-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]azanium

Systemtic Name: dodecan-2-yl-dimethyl-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]azanium Openeye Name: dimethyl-(1-methylundecyl)-[2-oxo-2-(2-sulfanylethylamino)ethyl]ammonium CAS Name: dodecan-2-yl-[2-(2-mercaptoethylamino)-2-oxoethyl]-dimethylammonium IUPAC Name: dodecan-2-yl-dimethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]azanium Traditional Name: [2-keto-2-(2-mercaptoethylamino)ethyl]-dimethyl-(1-methylundecyl)ammonium Formula: C18H39N2OS+ MolecularWeight: 331.58006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)[N+](C)(C)CC(=O)NCCS

Isomeric SMILES

CCCCCCCCCCC(C)[N+](C)(C)CC(=O)NCCS

InChI

InChI=1S/C18H38N2OS/c1-5-6-7-8-9-10-11-12-13-17(2)20(3,4)16-18(21)19-14-15-22/h17H,5-16H2,1-4H3,(H-,19,21,22)/p+1