2-benzoylbutyl-dimethyl-azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Molecular Formula:
C
17
H
23
NO
5
InChI:
InChI=1/C13H19NO.C4H4O4/c1-4-11(10-14(2)3)13(15)12-8-6-5-7-9-12;5-3(6)1-2-4(7)8/h5-9,11H,4,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/fC13H20NO.C4H3O4/h14H;5H/q+1;-1
InChIKey:
InChIKey=IIVDTCJILHUZAA-WNFQQETLDJ
SMILES:
CCC(C[NH+](C)C)C(=O)C1=CC=CC=C1.C(=CC(=O)[O-])C(=O)O
Names:
2-benzoylbutyl-dimethyl-azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Registries:
PubChem CID 6434459
PubChem ID 11621054