benzyl 2-[(10-cyano-12-azoniabicyclo[6.4.0]dodeca-8,10,12-trien-11-yl)sulfanyl]acetate
Molecular Formula:
C
21
H
23
N
2
O
2
S
+
InChI:
InChI=1/C21H22N2O2S/c22-13-18-12-17-10-6-1-2-7-11-19(17)23-21(18)26-15-20(24)25-14-16-8-4-3-5-9-16/h3-5,8-9,12H,1-2,6-7,10-11,14-15H2/p+1/fC21H23N2O2S/h23H/q+1
InChIKey:
InChIKey=QWVLTGZMGNXLHR-VYJQZTAUCG
SMILES:
C1CCCC2=C(CC1)C=C(C(=[NH+]2)SCC(=O)OCC3=CC=CC=C3)C#N
Names:
benzyl 2-[(10-cyano-12-azoniabicyclo[6.4.0]dodeca-8,10,12-trien-11-yl)sulfanyl]acetate
Registries:
PubChem CID 4124383
PubChem ID 6054816
