2-(4-chlorophenyl)-3-methyl-butane-2,3-diol; 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol; methanesulfonate

Systemtic Name: 2-(4-chlorophenyl)-3-methyl-butane-2,3-diol; 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol; methanesulfonate Openeye Name: 2-(4-chlorophenyl)-3-methyl-butane-2,3-diol; 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol; methanesulfonate CAS Name: 2-(4-chlorophenyl)-3-methylbutane-2,3-diol; 1-cyclohexyl-2-(4,4-dimethyl-1-piperazin-4-iumyl)-1-phenylethanol; methanesulfonate IUPAC Name: 2-(4-chlorophenyl)-3-methylbutane-2,3-diol; 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol; methanesulfonate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butane-2,3-diol; 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol; mesylate Formula: C32H51ClN2O6S MolecularWeight: 627.27514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(C1=CC=C(C=C1)Cl)O)O.C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C(C)(C1=CC=C(C=C1)Cl)O)O.C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H33N2O.C11H15ClO2.CH4O3S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-10(2,13)11(3,14)8-4-6-9(12)7-5-8;1-5(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;4-7,13-14H,1-3H3;1H3,(H,2,3,4)/q+1;;/p-1