(2-dodecylphenyl)methyl-dimethyl-(6-oxidanyl-6-oxidanylidene-hexyl)azanium

Systemtic Name: (2-dodecylphenyl)methyl-dimethyl-(6-oxidanyl-6-oxidanylidene-hexyl)azanium Openeye Name: (2-dodecylphenyl)methyl-(6-hydroxy-6-oxo-hexyl)-dimethyl-ammonium CAS Name: (2-dodecylphenyl)methyl-(6-hydroxy-6-oxohexyl)-dimethylammonium IUPAC Name: (2-dodecylphenyl)methyl-(6-hydroxy-6-oxohexyl)-dimethylazanium Traditional Name: (6-hydroxy-6-keto-hexyl)-(2-laurylbenzyl)-dimethyl-ammonium Formula: C27H48NO2+ MolecularWeight: 418.67552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CCCCCC(=O)O

InChI

InChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-14-19-25-20-16-17-21-26(25)24-28(2,3)23-18-13-15-22-27(29)30/h16-17,20-21H,4-15,18-19,22-24H2,1-3H3/p+1