(2R)-1-[(2-oxidanylidenebenzo[h]chromen-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(2-oxidanylidenebenzo[h]chromen-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(2-oxobenzo[h]chromen-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2-oxo-4-benzo[h][1]benzopyranyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(2-oxobenzo[h]chromen-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(2-ketobenzo[h]chromen-4-yl)methyl]pyrrolidin-1-ium-2-carboxylate Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=O)OC3=C2C=CC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC(=O)OC3=C2C=CC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C19H17NO4/c21-17-10-13(11-20-9-3-6-16(20)19(22)23)15-8-7-12-4-1-2-5-14(12)18(15)24-17/h1-2,4-5,7-8,10,16H,3,6,9,11H2,(H,22,23)/t16-/m1/s1