dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-octyl-azanium chloride

Systemtic Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-octyl-azanium chloride Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl-dimethyl-octyl-ammonium chloride CAS Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-octylammonium chloride IUPAC Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-octylazanium chloride Traditional Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl-dimethyl-octyl-ammonium chloride Formula: C21H44ClNO MolecularWeight: 362.03316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)COC1CC(CCC1C(C)C)C.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CO[C@@H]1C[C@@H](CC[C@H]1C(C)C)C.[Cl-]

InChI

InChI=1S/C21H44NO.ClH/c1-7-8-9-10-11-12-15-22(5,6)17-23-21-16-19(4)13-14-20(21)18(2)3;/h18-21H,7-17H2,1-6H3;1H/q+1;/p-1/t19-,20+,21-;/m1./s1