(E)-but-2-enedioate; [3-[(dimethylazaniumyl)methyl]-5-methoxy-2-oxidanyl-phenyl]methyl-dimethyl-azanium

Systemtic Name: (E)-but-2-enedioate; [3-[(dimethylazaniumyl)methyl]-5-methoxy-2-oxidanyl-phenyl]methyl-dimethyl-azanium Openeye Name: (E)-but-2-enedioate; [3-[(dimethylammonio)methyl]-2-hydroxy-5-methoxy-phenyl]methyl-dimethyl-ammonium CAS Name: (E)-2-butenedioate; [3-[(dimethylammonio)methyl]-2-hydroxy-5-methoxyphenyl]methyl-dimethylammonium IUPAC Name: (E)-but-2-enedioate; [3-[(dimethylazaniumyl)methyl]-2-hydroxy-5-methoxyphenyl]methyl-dimethylazanium Traditional Name: [3-[(dimethylammonio)methyl]-2-hydroxy-5-methoxy-benzyl]-dimethyl-ammonium fumarate Formula: C17H26N2O6 MolecularWeight: 354.39814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC(=CC(=C1O)C[NH+](C)C)OC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC(=CC(=C1O)C[NH+](C)C)OC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C13H22N2O2.C4H4O4/c1-14(2)8-10-6-12(17-5)7-11(13(10)16)9-15(3)4;5-3(6)1-2-4(7)8/h6-7,16H,8-9H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+