2-diethylammonioethyl-methyl-[2-(2-methylbenzo[1,3]dioxol-2-yl)ethyl]azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Molecular Formula:
C
25
H
36
N
2
O
10
InChI:
InChI=1/C17H28N2O2.2C4H4O4/c1-5-19(6-2)14-13-18(4)12-11-17(3)20-15-9-7-8-10-16(15)21-17;2*5-3(6)1-2-4(7)8/h7-10H,5-6,11-14H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/fC17H30N2O2.2C4H3O4/h18-19H;2*5H/q+2;2*-1
InChIKey:
InChIKey=HULHTGSQFIEYJV-DWBDPONPDT
SMILES:
CC[NH+](CC)CC[NH+](C)CCC1(OC2=CC=CC=C2O1)C.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O
Names:
2-diethylammonioethyl-methyl-[2-(2-methylbenzo[1,3]dioxol-2-yl)ethyl]azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Registries:
PubChem CID 6434447
PubChem ID 11621052
