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

Systemtic Name: 1-butyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]imidazol-3-ium chloride Openeye Name: 1-butyl-3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]imidazol-3-ium chloride CAS Name: 1-butyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride IUPAC Name: 1-butyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride Traditional Name: 1-butyl-3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]imidazol-3-ium chloride Formula: C18H33ClN2O MolecularWeight: 328.92042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C18H33N2O.ClH/c1-5-6-9-19-10-11-20(13-19)14-21-18-12-16(4)7-8-17(18)15(2)3;/h10-11,13,15-18H,5-9,12,14H2,1-4H3;1H/q+1;/p-1/t16-,17+,18-;/m1./s1