2-(4-chlorophenyl)carbonyloxyethyl-dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: 2-(4-chlorophenyl)carbonyloxyethyl-dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azanium chloride Openeye Name: 2-(4-chlorobenzoyl)oxyethyl-[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-dimethyl-ammonium chloride CAS Name: 2-[(4-chlorophenyl)-oxomethoxy]ethyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]ammonium chloride IUPAC Name: 2-(4-chlorobenzoyl)oxyethyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium chloride Traditional Name: 2-(4-chlorobenzoyl)oxyethyl-[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl]-dimethyl-ammonium chloride Formula: C23H35Cl2NO4 MolecularWeight: 460.4343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCOC(=O)C2=CC=C(C=C2)Cl)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCOC(=O)C2=CC=C(C=C2)Cl)C(C)C.[Cl-]

InChI

InChI=1S/C23H35ClNO4.ClH/c1-16(2)20-11-6-17(3)14-21(20)29-22(26)15-25(4,5)12-13-28-23(27)18-7-9-19(24)10-8-18;/h7-10,16-17,20-21H,6,11-15H2,1-5H3;1H/q+1;/p-1