1-(4-cyclopentylphenyl)-2-(1-oxa-4-azoniacyclohex-4-yl)ethanone; (Z)-4-hydroxy-4-oxo-but-2-enoate

Molecular Formula: C21H27NO6


InChI: InChI=1/C17H23NO2.C4H4O4/c19-17(13-18-9-11-20-12-10-18)16-7-5-15(6-8-16)14-3-1-2-4-14;5-3(6)1-2-4(7)8/h5-8,14H,1-4,9-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/fC17H24NO2.C4H3O4/h18H;5H/q+1;-1

InChIKey: InChIKey=ZRQRVRYDAWYSMR-VWIHNMRFDG
SMILES: C1CCC(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCOCC3.C(=CC(=O)[O-])C(=O)O

Names:
    1-(4-cyclopentylphenyl)-2-(1-oxa-4-azoniacyclohex-4-yl)ethanone; (Z)-4-hydroxy-4-oxo-but-2-enoate

Registries:
    PubChem CID 6435447
    PubChem ID 11621444