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

Systemtic Name: 1-dodecyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]imidazol-3-ium chloride Openeye Name: 1-dodecyl-3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]imidazol-3-ium chloride CAS Name: 1-dodecyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride IUPAC Name: 1-dodecyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-lauryl-imidazol-1-ium chloride Formula: C26H49ClN2O MolecularWeight: 441.13306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C[N+](=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCN1C=C[N+](=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C26H49N2O.ClH/c1-5-6-7-8-9-10-11-12-13-14-17-27-18-19-28(21-27)22-29-26-20-24(4)15-16-25(26)23(2)3;/h18-19,21,23-26H,5-17,20,22H2,1-4H3;1H/q+1;/p-1/t24-,25+,26-;/m1./s1