(2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-oxidanyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-oxidanyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-hydroxy-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-hydroxy-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-hydroxypyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-hydroxy-pyrrolidin-1-ium-2-carboxylate Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[N+](=CC=C2CC(NC(=C2)C(=O)O)C(=O)O)C1C(=O)[O-])O

Isomeric SMILES

C1[C@H](C[N+](=C/C=C/2\C[C@H](NC(=C2)C(=O)O)C(=O)O)[C@@H]1C(=O)[O-])O

InChI

InChI=1S/C14H16N2O7/c17-8-5-11(14(22)23)16(6-8)2-1-7-3-9(12(18)19)15-10(4-7)13(20)21/h1-3,8,10-11,17H,4-6H2,(H3,18,19,20,21,22,23)/t8-,10+,11+/m1/s1