benzyl-[2-[[2-[8-[(3-bromo-4-methoxy-phenyl)methylidene]-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl]acetyl]amino]ethyl]-methyl-azanium

Molecular Formula: C28H29BrN3O3S+


InChI: InChI=1/C28H28BrN3O3S/c1-31(18-20-8-4-3-5-9-20)15-14-30-27(33)19-32-23-10-6-7-11-25(23)36-26(28(32)34)17-21-12-13-24(35-2)22(29)16-21/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,30,33)/p+1/fC28H29BrN3O3S/h30-31H/q+1

InChIKey: InChIKey=SLGFCFLSIPBTGS-VFZDYCPNCA
SMILES: C[NH+](CCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC(=C(C=C3)OC)Br)C1=O)CC4=CC=CC=C4

Names:
    benzyl-[2-[[2-[8-[(3-bromo-4-methoxy-phenyl)methylidene]-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl]acetyl]amino]ethyl]-methyl-azanium

Registries:
    PubChem CID 3558191
    PubChem ID 4813542