dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-undecyl-azanium chloride

Systemtic Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-undecyl-azanium chloride Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl-dimethyl-undecyl-ammonium chloride CAS Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-undecylammonium chloride IUPAC Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-undecylazanium chloride Traditional Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl-dimethyl-undecyl-ammonium chloride Formula: C24H50ClNO MolecularWeight: 404.1129

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[N+](C)(C)COC1CC(CCC1C(C)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCC[N+](C)(C)CO[C@@H]1C[C@@H](CC[C@H]1C(C)C)C.[Cl-]

InChI

InChI=1S/C24H50NO.ClH/c1-7-8-9-10-11-12-13-14-15-18-25(5,6)20-26-24-19-22(4)16-17-23(24)21(2)3;/h21-24H,7-20H2,1-6H3;1H/q+1;/p-1/t22-,23+,24-;/m1./s1