hexadecyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butan-2-yl)azanium

Systemtic Name: hexadecyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butan-2-yl)azanium Openeye Name: hexadecyl-(3-hydroxy-1-methyl-3-oxo-propyl)-dimethyl-ammonium CAS Name: hexadecyl-(4-hydroxy-4-oxobutan-2-yl)-dimethylammonium IUPAC Name: hexadecyl-(4-hydroxy-4-oxobutan-2-yl)-dimethylazanium Traditional Name: cetyl-(3-hydroxy-3-keto-1-methyl-propyl)-dimethyl-ammonium Formula: C22H46NO2+ MolecularWeight: 356.60614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(C)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(C)CC(=O)O

InChI

InChI=1S/C22H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,4)21(2)20-22(24)25/h21H,5-20H2,1-4H3/p+1