(Z)-4-hydroxy-4-oxo-but-2-enoate; 2-(4-methyl-4-aza-1-azoniacyclohept-1-yl)ethyl 2-(4-chlorophenoxy)acetate
Molecular Formula:
C
20
H
27
ClN
2
O
7
InChI:
InChI=1/C16H23ClN2O3.C4H4O4/c1-18-7-2-8-19(10-9-18)11-12-21-16(20)13-22-15-5-3-14(17)4-6-15;5-3(6)1-2-4(7)8/h3-6H,2,7-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/fC16H24ClN2O3.C4H3O4/h19H;5H/q+1;-1
InChIKey:
InChIKey=KKHATONJJKAVHF-OWULCBOBDR
SMILES:
CN1CCC[NH+](CC1)CCOC(=O)COC2=CC=C(C=C2)Cl.C(=CC(=O)[O-])C(=O)O
Names:
(Z)-4-hydroxy-4-oxo-but-2-enoate; 2-(4-methyl-4-aza-1-azoniacyclohept-1-yl)ethyl 2-(4-chlorophenoxy)acetate
Registries:
PubChem CID 6435460
PubChem ID 11621450