7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Properties Image MNX_ID MNXM166663 reference sabiorkM:24799 formula C13H13N3O3S global charge 0 mol weight 291.332 InChIKey ACIOXMJZEFKYHZ-UHFFFAOYSA-N InChI InChI=1S/C13H13N3O3S/c14-9-11(17)16-10(13(18)19)8(7-20-12(9)16)6-15-4-2-1-3-5-15/h1-5,9,12H,6-7,14H2 SMILES NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3=CC=CC=C3)CSC12 MNX internals InChI (mnx) InChI=1/C13H13N3O3S/c14-9-11(17)16-10(13(18)19)8(7-20-12(9)16)6-15-4-2-1-3-5-15/h1-5,9,12H,6-7,14H2/t9?,12? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[N+:15]([CH2:6][C:8]2=[C:10]([C:13](=[O:18])[O-:19])[N:16]3[C:11](=[O:17])[CH:9]([NH2:14])[CH:12]3[S:20][CH2:7]2)[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0