3-(hexadecanoylamino)propyl-dimethyl-(4-sulfobutyl)azanium

Systemtic Name: 3-(hexadecanoylamino)propyl-dimethyl-(4-sulfobutyl)azanium Openeye Name: 3-(hexadecanoylamino)propyl-dimethyl-(4-sulfobutyl)ammonium CAS Name: dimethyl-[3-(1-oxohexadecylamino)propyl]-(4-sulfobutyl)ammonium IUPAC Name: 3-(hexadecanoylamino)propyl-dimethyl-(4-sulfobutyl)azanium Traditional Name: dimethyl-(3-palmitamidopropyl)-(4-sulfobutyl)ammonium Formula: C25H53N2O4S+ MolecularWeight: 477.76432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)O

InChI

InChI=1S/C25H52N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(28)26-21-19-23-27(2,3)22-17-18-24-32(29,30)31/h4-24H2,1-3H3,(H-,26,28,29,30,31)/p+1