(2R)-1-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(7-hydroxy-4-oxo-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(7-hydroxy-4-oxo-3-phenoxy-1-benzopyran-8-yl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(7-hydroxy-4-keto-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4)O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4)O)C(=O)[O-]

InChI

InChI=1S/C21H19NO6/c23-17-9-8-14-19(24)18(28-13-5-2-1-3-6-13)12-27-20(14)15(17)11-22-10-4-7-16(22)21(25)26/h1-3,5-6,8-9,12,16,23H,4,7,10-11H2,(H,25,26)/t16-/m1/s1