2-[(7-methyl-4-thia-6-aza-1-azoniabicyclo[3.3.0]octa-2,7,9-trien-6-yl)methyl]benzonitrile bromide
Molecular Formula:
C
14
H
12
BrN
3
S
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