(E)-but-2-enedioate; [2-(dimethylazaniumyl)carbonyloxyphenyl]methyl-dimethyl-azanium

Systemtic Name: (E)-but-2-enedioate; [2-(dimethylazaniumyl)carbonyloxyphenyl]methyl-dimethyl-azanium Openeye Name: (E)-but-2-enedioate; [2-(dimethylammonio)carbonyloxyphenyl]methyl-dimethyl-ammonium CAS Name: (E)-2-butenedioate; [[2-[(dimethylammonio)methyl]phenoxy]-oxomethyl]-dimethylammonium IUPAC Name: (E)-but-2-enedioate; [2-(dimethylazaniumyl)carbonyloxyphenyl]methyl-dimethylazanium Traditional Name: [2-(dimethylammonio)carbonyloxybenzyl]-dimethyl-ammonium fumarate Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1OC(=O)[NH+](C)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1OC(=O)[NH+](C)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C12H18N2O2.C4H4O4/c1-13(2)9-10-7-5-6-8-11(10)16-12(15)14(3)4;5-3(6)1-2-4(7)8/h5-8H,9H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+