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

Systemtic Name: dodecyl-dimethyl-(2-oxidanylidene-2-pyridin-2-yl-ethyl)azanium bromide Openeye Name: dodecyl-dimethyl-[2-oxo-2-(2-pyridyl)ethyl]ammonium bromide CAS Name: dodecyl-dimethyl-[2-oxo-2-(2-pyridinyl)ethyl]ammonium bromide IUPAC Name: dodecyl-dimethyl-(2-oxo-2-pyridin-2-ylethyl)azanium bromide Traditional Name: [2-keto-2-(2-pyridyl)ethyl]-lauryl-dimethyl-ammonium bromide Formula: C21H37BrN2O MolecularWeight: 413.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N2O.BrH/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;1H/q+1;/p-1