Hexocyclium
[CAS# 6004-98-4]

Identification

• Name: Hexocyclium
• Synonyms: 1-Cyclohexyl-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-1-Phenyl-Ethanol; Hydrogen Sulfate; 1-Cyclohexyl-2-(4,4-Dimethyl-1-Piperazin-4-Iumyl)-1-Phenylethanol; Hydrogen Sulfate; 1-Cyclohexyl-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-1-Phenyl-Ethanol Bisulfate
• Molecular Formula: C₂₀H₃₄N₂O₅S
• Molecular Weight: 414.56
• CAS Registry Number: 6004-98-4
• SMILES: O=[S]([O-])(=O)O.C3=C(C(O)(C1CCCCC1)CN2CC[N+](CC2)(C)C)C=CC=C3
• InChI: 1S/C20H33N2O.H2O4S/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;1-5(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
• InChIKey: DISDOTNAMNSEDY-UHFFFAOYSA-M