2-chloranyl-5-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)pyridine; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-chloranyl-5-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)pyridine; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-chloro-5-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)pyridine; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-chloro-5-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)pyridine; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-chloro-5-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)pyridine; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-chloro-5-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)pyridine; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C14H15ClN2O4 MolecularWeight: 310.7329

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC=C1C2=CN=C(C=C2)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1C[NH2+]CC=C1C2=CN=C(C=C2)Cl.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C10H11ClN2.C4H4O4/c11-10-2-1-9(7-13-10)8-3-5-12-6-4-8;5-3(6)1-2-4(7)8/h1-3,7,12H,4-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+