2-[(7-methyl-4-thia-6-aza-1-azoniabicyclo[3.3.0]octa-2,7,9-trien-6-yl)methyl]benzonitrile bromide

Molecular Formula: C14H12BrN3S


InChI: InChI=1/C14H12N3S.BrH/c1-11-9-16-6-7-18-14(16)17(11)10-13-5-3-2-4-12(13)8-15;/h2-7,9H,10H2,1H3;1H/q+1;/p-1/fC14H12N3S.Br/h;1h/qm;-1

InChIKey: InChIKey=XNFWEMOQLYGGKY-QZEJUDJTCQ
SMILES: CC1=C[N+]2=C(N1CC3=CC=CC=C3C#N)SC=C2.[Br-]

Names:
    2-[(7-methyl-4-thia-6-aza-1-azoniabicyclo[3.3.0]octa-2,7,9-trien-6-yl)methyl]benzonitrile bromide

Registries:
    PubChem CID 2828900
    PubChem ID 3293240