dodecyl-dimethyl-(2-oxidanylidene-2-pyridin-2-yl-ethyl)azanium

Systemtic Name: dodecyl-dimethyl-(2-oxidanylidene-2-pyridin-2-yl-ethyl)azanium Openeye Name: dodecyl-dimethyl-[2-oxo-2-(2-pyridyl)ethyl]ammonium CAS Name: dodecyl-dimethyl-[2-oxo-2-(2-pyridinyl)ethyl]ammonium IUPAC Name: dodecyl-dimethyl-(2-oxo-2-pyridin-2-ylethyl)azanium Traditional Name: [2-keto-2-(2-pyridyl)ethyl]-lauryl-dimethyl-ammonium Formula: C21H37N2O+ MolecularWeight: 333.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC(=O)C1=CC=CC=N1

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(=O)C1=CC=CC=N1

InChI

InChI=1S/C21H37N2O/c1-4-5-6-7-8-9-10-11-12-15-18-23(2,3)19-21(24)20-16-13-14-17-22-20/h13-14,16-17H,4-12,15,18-19H2,1-3H3/q+1