7-(2,5-dimethoxyphenyl)-9-(3-nitrophenyl)-5-thia-7-aza-1-azoniabicyclo[4.3.0]non-10-en-9-ol
Molecular Formula:
C
20
H
22
N
3
O
5
S
+
InChI:
InChI=1/C20H22N3O5S/c1-27-16-7-8-18(28-2)17(12-16)21-13-20(24,22-9-4-10-29-19(21)22)14-5-3-6-15(11-14)23(25)26/h3,5-8,11-12,24H,4,9-10,13H2,1-2H3/q+1
InChIKey:
InChIKey=YMGGFNPKLUFEDQ-UHFFFAOYAN
SMILES:
COC1=CC(=C(C=C1)OC)N2CC([N+]3=C2SCCC3)(C4=CC(=CC=C4)[N+](=O)[O-])O
Names:
7-(2,5-dimethoxyphenyl)-9-(3-nitrophenyl)-5-thia-7-aza-1-azoniabicyclo[4.3.0]non-10-en-9-ol
Registries:
PubChem CID 4217592
PubChem ID 6601431
