Catalog Number:
AG001OA2
Chemical Name:
Pyridinium, 1-[[3-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]methyl]-4-[5-(4-methoxyphenyl)-2-oxazolyl]-, bromide (1:1)
CAS Number:
155862-95-6
Molecular Formula:
C27H22BrN3O6
Molecular Weight:
564.3841
MDL Number:
MFCD00467811
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzoate;bromide
InChI:
InChI=1S/C27H22N3O6.BrH/c1-34-22-7-5-19(6-8-22)23-16-28-26(35-23)20-11-13-29(14-12-20)17-18-3-2-4-21(15-18)27(33)36-30-24(31)9-10-25(30)32;/h2-8,11-16H,9-10,17H2,1H3;1H/q+1;/p-1
InChI Key:
DENNAQTZCPWYSQ-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)c1cnc(o1)c1cc[n+](cc1)Cc1cccc(c1)C(=O)ON1C(=O)CCC1=O.[Br-]
