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

Systemtic Name: (2-hexadecylphenyl)methyl-dimethyl-(6-oxidanyl-6-oxidanylidene-hexyl)azanium Openeye Name: (2-hexadecylphenyl)methyl-(6-hydroxy-6-oxo-hexyl)-dimethyl-ammonium CAS Name: (2-hexadecylphenyl)methyl-(6-hydroxy-6-oxohexyl)-dimethylammonium IUPAC Name: (2-hexadecylphenyl)methyl-(6-hydroxy-6-oxohexyl)-dimethylazanium Traditional Name: (2-cetylbenzyl)-(6-hydroxy-6-keto-hexyl)-dimethyl-ammonium Formula: C31H56NO2+ MolecularWeight: 474.78184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-29-24-20-21-25-30(29)28-32(2,3)27-22-17-19-26-31(33)34/h20-21,24-25H,4-19,22-23,26-28H2,1-3H3/p+1