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

Systemtic Name: 3-(dodecanoylamino)propyl-dimethyl-(4-sulfobutyl)azanium Openeye Name: 3-(dodecanoylamino)propyl-dimethyl-(4-sulfobutyl)ammonium CAS Name: dimethyl-[3-(1-oxododecylamino)propyl]-(4-sulfobutyl)ammonium IUPAC Name: 3-(dodecanoylamino)propyl-dimethyl-(4-sulfobutyl)azanium Traditional Name: 3-(lauroylamino)propyl-dimethyl-(4-sulfobutyl)ammonium Formula: C21H45N2O4S+ MolecularWeight: 421.658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H44N2O4S/c1-4-5-6-7-8-9-10-11-12-16-21(24)22-17-15-19-23(2,3)18-13-14-20-28(25,26)27/h4-20H2,1-3H3,(H-,22,24,25,26,27)/p+1