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

Systemtic Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-3-undecyl-imidazol-1-ium chloride Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-undecyl-imidazol-1-ium chloride CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-undecylimidazol-1-ium chloride IUPAC Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-undecylimidazol-1-ium chloride Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-undecyl-imidazol-1-ium chloride Formula: C25H47ClN2O MolecularWeight: 427.10648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C=C[N+](=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCN1C=C[N+](=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C25H47N2O.ClH/c1-5-6-7-8-9-10-11-12-13-16-26-17-18-27(20-26)21-28-25-19-23(4)14-15-24(25)22(2)3;/h17-18,20,22-25H,5-16,19,21H2,1-4H3;1H/q+1;/p-1/t23-,24+,25-;/m1./s1