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

Systemtic Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-3-pentyl-imidazol-1-ium chloride Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-pentyl-imidazol-1-ium chloride CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-pentylimidazol-1-ium chloride IUPAC Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-pentylimidazol-1-ium chloride Traditional Name: 1-amyl-3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]imidazol-3-ium chloride Formula: C19H35ClN2O MolecularWeight: 342.947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C[N+](=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCCCCN1C=C[N+](=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C19H35N2O.ClH/c1-5-6-7-10-20-11-12-21(14-20)15-22-19-13-17(4)8-9-18(19)16(2)3;/h11-12,14,16-19H,5-10,13,15H2,1-4H3;1H/q+1;/p-1/t17-,18+,19-;/m1./s1