(2-hexadecylphenyl)methyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium

Systemtic Name: (2-hexadecylphenyl)methyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium Openeye Name: (2-hexadecylphenyl)methyl-(4-hydroxy-4-oxo-butyl)-dimethyl-ammonium CAS Name: (2-hexadecylphenyl)methyl-(4-hydroxy-4-oxobutyl)-dimethylammonium IUPAC Name: (2-hexadecylphenyl)methyl-(4-hydroxy-4-oxobutyl)-dimethylazanium Traditional Name: (2-cetylbenzyl)-(4-hydroxy-4-keto-butyl)-dimethyl-ammonium Formula: C29H52NO2+ MolecularWeight: 446.72868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CCCC(=O)O

InChI

InChI=1S/C29H51NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-22-18-19-23-28(27)26-30(2,3)25-20-24-29(31)32/h18-19,22-23H,4-17,20-21,24-26H2,1-3H3/p+1