ZINC04584844

Molecular Formula: C₂₀H₂₆N₅O₃S⁺

InChI: InChI=1/C20H25N5O3S/c1-4-16-21-20-24(22-16)19(26)18(29-20)17(23-10-12(2)9-13(3)11-23)14-5-7-15(8-6-14)25(27)28/h5-8,12-13,17,26H,4,9-11H2,1-3H3/p+1/t12-,13+,17-/m1/s1/fC20H26N5O3S/h23H/q+1

InChIKey: InChIKey=NTBYDPFFWWZCHX-RUPSBZOUDQ
SMILES: CCC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)[N+](=O)[O-])[NH+]4CC(CC(C4)C)C)O

Names:
    ZINC04584844
    3-[(R)-[(3S,5R)-3,5-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl]-(4-nitrophenyl)methyl]-7-ethyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-2,5,7-trien-2-ol

Registries:
    PubChem CID 7293952
    PubChem ID 12470404