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

Systemtic Name: 1-ethyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]imidazol-3-ium chloride Openeye Name: 1-ethyl-3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]imidazol-3-ium chloride CAS Name: 1-ethyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride IUPAC Name: 1-ethyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride Traditional Name: 1-ethyl-3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]imidazol-3-ium chloride Formula: C16H29ClN2O MolecularWeight: 300.86726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C[N+](=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCN1C=C[N+](=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C16H29N2O.ClH/c1-5-17-8-9-18(11-17)12-19-16-10-14(4)6-7-15(16)13(2)3;/h8-9,11,13-16H,5-7,10,12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16-;/m1./s1