(E)-but-2-enedioate; 2,2-diphenoxyethyl(dimethyl)azanium

Systemtic Name: (E)-but-2-enedioate; 2,2-diphenoxyethyl(dimethyl)azanium Openeye Name: (E)-but-2-enedioate; 2,2-diphenoxyethyl(dimethyl)ammonium CAS Name: (E)-2-butenedioate; 2,2-diphenoxyethyl(dimethyl)ammonium IUPAC Name: (E)-but-2-enedioate; 2,2-diphenoxyethyl(dimethyl)azanium Traditional Name: 2,2-diphenoxyethyl(dimethyl)ammonium fumarate Formula: C20H22NO6- MolecularWeight: 372.39178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H19NO2.C4H4O4/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15;5-3(6)1-2-4(7)8/h3-12,16H,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+