Catalog Number:
AG00I9Z9
Chemical Name:
1-Amino-3-bromopyridin-1-ium 2,4,6-trimethylbenzenesulfonate
CAS Number:
55899-13-3
Molecular Formula:
C14H17BrN2O3S
Molecular Weight:
373.2654
MDL Number:
MFCD28502700
IUPAC Name:
3-bromopyridin-1-ium-1-amine;2,4,6-trimethylbenzenesulfonate
InChI:
InChI=1S/C9H12O3S.C5H6BrN2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;6-5-2-1-3-8(7)4-5/h4-5H,1-3H3,(H,10,11,12);1-4H,7H2/q;+1/p-1
InChI Key:
CMDGFAPRZQBXJY-UHFFFAOYSA-M
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)[O-].N[n+]1cccc(c1)Br
