(2R)-1-[(E)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(E)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(E)-2-(5-chloro-2-hydroxy-phenyl)-1-formyl-vinyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(E)-1-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(E)-1-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(E)-2-(5-chloro-2-hydroxy-phenyl)-1-formyl-vinyl]pyrrolidin-1-ium-2-carboxylate Formula: C14H14ClNO4 MolecularWeight: 295.71826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C(=CC2=C(C=CC(=C2)Cl)O)C=O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)/C(=C/C2=C(C=CC(=C2)Cl)O)/C=O)C(=O)[O-]

InChI

InChI=1S/C14H14ClNO4/c15-10-3-4-13(18)9(6-10)7-11(8-17)16-5-1-2-12(16)14(19)20/h3-4,6-8,12,18H,1-2,5H2,(H,19,20)/b11-7+/t12-/m1/s1