(E)-but-2-enedioate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: (E)-but-2-enedioate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: (E)-but-2-enedioate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: (E)-2-butenedioate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: (E)-but-2-enedioate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2-hydroxyethyl(trimethyl)ammonium fumarate Formula: C14H30N2O6 MolecularWeight: 322.3978

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C5H14NO.C4H4O4/c2*1-6(2,3)4-5-7;5-3(6)1-2-4(7)8/h2*7H,4-5H2,1-3H3;1-2H,(H,5,6)(H,7,8)/q2*+1;/p-2/b;;2-1+