3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate; diethyl-[2-[2-(2-methylbenzo[1,3]dioxol-2-yl)ethylsulfanyl]ethyl]azanium

Molecular Formula: C₂₂H₃₃NO₉S

InChI: InChI=1/C16H25NO2S.C6H8O7/c1-4-17(5-2)11-13-20-12-10-16(3)18-14-8-6-7-9-15(14)19-16;7-2-6(4(10)11,5(12)13)1-3(8)9/h6-9H,4-5,10-13H2,1-3H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/fC16H26NO2S.C6H7O7/h17H;10,12H/q+1;-1

InChIKey: InChIKey=HWXJIHXVEQIDST-YNXRIWBGCF
SMILES: CC[NH+](CC)CCSCCC1(OC2=CC=CC=C2O1)C.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O

Names:
    1,3-BENZODIOXOLE, 2-(2-(2-(DIETHYLAMINO)ETHYLTHIO)ETHYL)-2-METHYL-, CITRATE
    100310-91-6
    2-(2-(2-(Diethylamino)ethylthio)ethyl)-2-methyl-1,3-benzodioxole citrate
    3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate; diethyl-[2-[2-(2-methylbenzo[1,3]dioxol-2-yl)ethylsulfanyl]ethyl]azanium

Registries:
PubChem CID 57719
PubChem ID 194731