3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate; diethyl-[2-[3-[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]propanoyloxy]ethyl]azanium

Molecular Formula: C22H32N2O10


InChI: InChI=1/C16H24N2O3.C6H8O7/c1-3-18(4-2)12-13-21-16(20)10-11-17-14-8-6-5-7-9-15(14)19;7-2-6(4(10)11,5(12)13)1-3(8)9/h5-9H,3-4,10-13H2,1-2H3,(H,17,19);7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/fC16H25N2O3.C6H7O7/h17-18H;10,12H/q+1;-1

InChIKey: InChIKey=WIZMSHHZGYYWOE-NZUPGPOCCL
SMILES: CC[NH+](CC)CCOC(=O)CCNC1=CC=CC=CC1=O.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O

Names:
    beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(diethylamino)ethyl ester, citrate (1:1)
    beta-ALANINE, N-(7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)-, 2-(DIETHYLAMINO)ETHYL ESTER
    N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)-beta-alanine 2-(diethylamino)ethyl ester citrate
    15499-10-2
    3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate; diethyl-[2-[3-[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]propanoyloxy]ethyl]azanium

Registries:
    PubChem CID 27344
    PubChem ID 169950