diethyl-[2-[1-(2-methyl-1,3-benzodioxol-2-yl)propan-2-ylazaniumyl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: diethyl-[2-[1-(2-methyl-1,3-benzodioxol-2-yl)propan-2-ylazaniumyl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: diethyl-[2-[[1-methyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]ammonio]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[2-[1-(2-methyl-1,3-benzodioxol-2-yl)propan-2-ylammonio]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: diethyl-[2-[1-(2-methyl-1,3-benzodioxol-2-yl)propan-2-ylazaniumyl]ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: diethyl-[2-[[1-methyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]ammonio]ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H36N2O10 MolecularWeight: 524.56074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]C(C)CC1(OC2=CC=CC=C2O1)C.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC[NH2+]C(CC1(OC2=CC=CC=C2O1)C)C)CC.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H28N2O2.2C4H4O4/c1-5-19(6-2)12-11-18-14(3)13-17(4)20-15-9-7-8-10-16(15)21-17;2*5-3(6)1-2-4(7)8/h7-10,14,18H,5-6,11-13H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-