[(2S)-4-acetyloxy-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium; (E)-but-2-enedioic acid

Systemtic Name: [(2S)-4-acetyloxy-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium; (E)-but-2-enedioic acid Openeye Name: [(2S)-4-acetoxy-2-hydroxy-4-oxo-butyl]-trimethyl-ammonium; fumaric acid CAS Name: [(2S)-4-acetyloxy-2-hydroxy-4-oxobutyl]-trimethylammonium; (E)-2-butenedioic acid IUPAC Name: [(2S)-4-acetyloxy-2-hydroxy-4-oxobutyl]-trimethylazanium; (E)-but-2-enedioic acid Traditional Name: [(2S)-4-acetoxy-2-hydroxy-4-keto-butyl]-trimethyl-ammonium; fumaric acid Formula: C13H22NO8+ MolecularWeight: 320.31568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)OC(=O)C[C@@H](C[N+](C)(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H18NO4.C4H4O4/c1-7(11)14-9(13)5-8(12)6-10(2,3)4;5-3(6)1-2-4(7)8/h8,12H,5-6H2,1-4H3;1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1+/t8-;/m0./s1