1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-3-octyl-imidazol-1-ium chloride

Systemtic Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-3-octyl-imidazol-1-ium chloride Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-octyl-imidazol-1-ium chloride CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-octylimidazol-1-ium chloride IUPAC Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-octylimidazol-1-ium chloride Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-octyl-imidazol-1-ium chloride Formula: C22H41ClN2O MolecularWeight: 385.02674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C22H41N2O.ClH/c1-5-6-7-8-9-10-13-23-14-15-24(17-23)18-25-22-16-20(4)11-12-21(22)19(2)3;/h14-15,17,19-22H,5-13,16,18H2,1-4H3;1H/q+1;/p-1/t20-,21+,22-;/m1./s1