IUPAC name
4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium
SMILES
C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1
Compound class
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds;
Therapeutic area
Common name
Hexocyclium
IUPAC name
4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium
SMILES
C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1
INCHI
InChI=1S/C20H33N2O/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/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1
FORMULA
C20H33N2O
Common name
Hexocyclium
IUPAC name
4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium
Molecular weight
317.489
clogP
0.455
clogS
-4.211
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
23.47
Number of Rings
3
Rotatable Bond
4
