1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol sulfate

Systemtic Name: 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol sulfate Openeye Name: 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol sulfate CAS Name: 1-cyclohexyl-2-(4,4-dimethyl-1-piperazin-4-iumyl)-1-phenylethanol sulfate IUPAC Name: 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol sulfate Traditional Name: 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol sulfate Formula: C40H66N4O6S MolecularWeight: 731.04024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H33N2O.H2O4S/c2*1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5(2,3)4/h2*3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2