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

Systemtic Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-3-octyl-imidazol-1-ium Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-octyl-imidazol-1-ium CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-octylimidazol-1-ium IUPAC Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-octylimidazol-1-ium Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-octyl-imidazol-1-ium Formula: C22H41N2O+ MolecularWeight: 349.57374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N2O/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/q+1/t20-,21+,22-/m1/s1