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

Systemtic Name: heptyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]azanium chloride Openeye Name: heptyl-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-dimethyl-ammonium chloride CAS Name: heptyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]ammonium chloride IUPAC Name: heptyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium chloride Traditional Name: heptyl-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-dimethyl-ammonium chloride Formula: C20H42ClNO MolecularWeight: 348.00658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42NO.ClH/c1-7-8-9-10-11-14-21(5,6)16-22-20-15-18(4)12-13-19(20)17(2)3;/h17-20H,7-16H2,1-6H3;1H/q+1;/p-1/t18-,19+,20-;/m1./s1