[2-(4-cyclopentylphenyl)-2-oxo-ethyl]-diethyl-azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Molecular Formula:
C
21
H
29
NO
5
InChI:
InChI=1/C17H25NO.C4H4O4/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14;5-3(6)1-2-4(7)8/h9-12,14H,3-8,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/fC17H26NO.C4H3O4/h18H;5H/q+1;-1
InChIKey:
InChIKey=IQKMEQOTQJBZAK-SWJJPIECDX
SMILES:
CC[NH+](CC)CC(=O)C1=CC=C(C=C1)C2CCCC2.C(=CC(=O)[O-])C(=O)O
Names:
[2-(4-cyclopentylphenyl)-2-oxo-ethyl]-diethyl-azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Registries:
PubChem CID 6435443
PubChem ID 11621440