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

Systemtic Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-3-propyl-imidazol-1-ium chloride Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-propyl-imidazol-1-ium chloride CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-propylimidazol-1-ium chloride IUPAC Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-propylimidazol-1-ium chloride Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-propyl-imidazol-1-ium chloride Formula: C17H31ClN2O MolecularWeight: 314.89384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C[N+](=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCCN1C=C[N+](=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C17H31N2O.ClH/c1-5-8-18-9-10-19(12-18)13-20-17-11-15(4)6-7-16(17)14(2)3;/h9-10,12,14-17H,5-8,11,13H2,1-4H3;1H/q+1;/p-1/t15-,16+,17-;/m1./s1