(E)-but-2-enedioate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: (E)-but-2-enedioate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: (E)-but-2-enedioate; 3-hydroxy-4-(trimethylammonio)butanoate CAS Name: (E)-2-butenedioate; 3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: (E)-but-2-enedioate; 3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-hydroxy-4-(trimethylammonio)butyrate fumarate Formula: C11H17NO7-2 MolecularWeight: 275.25518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C4H4O4/c1-8(2,3)5-6(9)4-7(10)11;5-3(6)1-2-4(7)8/h6,9H,4-5H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+