(2-azanylcycloheptyl)methyl-(2-hexadecoxyethyl)-dimethyl-azanium bromide

Systemtic Name: (2-azanylcycloheptyl)methyl-(2-hexadecoxyethyl)-dimethyl-azanium bromide Openeye Name: (2-aminocycloheptyl)methyl-(2-hexadecoxyethyl)-dimethyl-ammonium bromide CAS Name: (2-aminocycloheptyl)methyl-(2-hexadecoxyethyl)-dimethylammonium bromide IUPAC Name: (2-aminocycloheptyl)methyl-(2-hexadecoxyethyl)-dimethylazanium bromide Traditional Name: (2-aminocycloheptyl)methyl-(2-cetyloxyethyl)-dimethyl-ammonium bromide Formula: C28H59BrN2O MolecularWeight: 519.68486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC[N+](C)(C)CC1CCCCCC1N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC[N+](C)(C)CC1CCCCCC1N.[Br-]

InChI

InChI=1S/C28H59N2O.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31-25-23-30(2,3)26-27-21-18-17-19-22-28(27)29;/h27-28H,4-26,29H2,1-3H3;1H/q+1;/p-1