dimethyl-[3-(octadecanoylamino)propyl]-(4-sulfobutyl)azanium

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-(4-sulfobutyl)azanium Openeye Name: dimethyl-[3-(octadecanoylamino)propyl]-(4-sulfobutyl)ammonium CAS Name: dimethyl-[3-(1-oxooctadecylamino)propyl]-(4-sulfobutyl)ammonium IUPAC Name: dimethyl-[3-(octadecanoylamino)propyl]-(4-sulfobutyl)azanium Traditional Name: dimethyl-(3-stearamidopropyl)-(4-sulfobutyl)ammonium Formula: C27H57N2O4S+ MolecularWeight: 505.81748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27(30)28-23-21-25-29(2,3)24-19-20-26-34(31,32)33/h4-26H2,1-3H3,(H-,28,30,31,32,33)/p+1