Pentapiperium methylsulfateProduct ingredient for Pentapiperium

Name
Pentapiperium methylsulfate
Drug Entry
Pentapiperium
Accession Number
DBSALT003554
Structure
Synonyms
4-Hydroxy-1,1-dimethylpiperidinium methyl sulfate 3-methyl-2-phenylvalerate / Pentapiperium methylsulphate / PENTAPIPERIUM METILSULFATE / PIPERIDINIUM, 1,1-DIMETHYL-4-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, METHYL SULFATE
UNII
Y8B7PF4062
CAS Number
7681-80-3
Weight
Average: 415.55
Monoisotopic: 415.202858961
Chemical Formula
C20H33NO6S
InChI Key
YGURFDXYQNOJCS-UHFFFAOYSA-M
InChI
InChI=1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
IUPAC Name
SMILES
COS([O-])(=O)=O.CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)C1=CC=CC=C1
ChEMBL
CHEMBL2107046
Predicted Properties
PropertyValueSource