Catalog Number:
AG001PXO
Chemical Name:
Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, sulfate (1:1)
CAS Number:
15803-80-2
Molecular Formula:
C19H31NO6S
Molecular Weight:
401.5175
IUPAC Name:
(1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate;hydrogen sulfate
InChI:
InChI=1S/C19H30NO2.H2O4S/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(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
BWGIFBYVAZDWGB-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CCC(C(c1ccccc1)C(=O)OC1CC[N+](CC1)(C)C)C