heptyl-dimethyl-(2-methyl-2-oxidanyl-5-propan-2-yl-cyclohexyl)azanium bromide

Systemtic Name: heptyl-dimethyl-(2-methyl-2-oxidanyl-5-propan-2-yl-cyclohexyl)azanium bromide Openeye Name: heptyl-(2-hydroxy-5-isopropyl-2-methyl-cyclohexyl)-dimethyl-ammonium bromide CAS Name: heptyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylammonium bromide IUPAC Name: heptyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium bromide Traditional Name: heptyl-(2-hydroxy-5-isopropyl-2-methyl-cyclohexyl)-dimethyl-ammonium bromide Formula: C19H40BrNO MolecularWeight: 378.431

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](C)(C)C1CC(CCC1(C)O)C(C)C.[Br-]

Isomeric SMILES

CCCCCCC[N+](C)(C)C1CC(CCC1(C)O)C(C)C.[Br-]

InChI

InChI=1S/C19H40NO.BrH/c1-7-8-9-10-11-14-20(5,6)18-15-17(16(2)3)12-13-19(18,4)21;/h16-18,21H,7-15H2,1-6H3;1H/q+1;/p-1