7-(4-ethylphenyl)-9-(4-nitrophenyl)-5-thia-7-aza-1-azoniabicyclo[4.3.0]non-10-en-9-ol

Molecular Formula: C20H22N3O3S+


InChI: InChI=1/C20H22N3O3S/c1-2-15-4-8-17(9-5-15)21-14-20(24,22-12-3-13-27-19(21)22)16-6-10-18(11-7-16)23(25)26/h4-11,24H,2-3,12-14H2,1H3/q+1

InChIKey: InChIKey=METSKVZPIRYVNF-UHFFFAOYAR
SMILES: CCC1=CC=C(C=C1)N2CC([N+]3=C2SCCC3)(C4=CC=C(C=C4)[N+](=O)[O-])O

Names:
    7-(4-ethylphenyl)-9-(4-nitrophenyl)-5-thia-7-aza-1-azoniabicyclo[4.3.0]non-10-en-9-ol

Registries:
    PubChem CID 4217602
    PubChem ID 6601432