Catalog Number:
AG001OA0
Chemical Name:
Pyridinium, 1-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]-4-[5-(4-methoxyphenyl)-2-oxazolyl]-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
155862-98-9
Molecular Formula:
C22H18F3N3O7S
Molecular Weight:
525.4544
MDL Number:
MFCD08276998
IUPAC Name:
1-[2-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]ethyl]pyrrole-2,5-dione;trifluoromethanesulfonate
InChI:
InChI=1S/C21H18N3O4.CHF3O3S/c1-27-17-4-2-15(3-5-17)18-14-22-21(28-18)16-8-10-23(11-9-16)12-13-24-19(25)6-7-20(24)26;2-1(3,4)8(5,6)7/h2-11,14H,12-13H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
LVIALPCMAFGHPU-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.COc1ccc(cc1)c1cnc(o1)c1cc[n+](cc1)CCN1C(=O)C=CC1=O
