[3-(4-fluorophenyl)-4-oxidanylidene-chromen-7-yl] (2S)-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-4-oxidanylidene-chromen-7-yl] (2S)-pyrrolidin-1-ium-2-carboxylate Openeye Name: [3-(4-fluorophenyl)-4-oxo-chromen-7-yl] (2S)-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-pyrrolidin-1-iumcarboxylic acid [3-(4-fluorophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-fluorophenyl)-4-oxochromen-7-yl] (2S)-pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-pyrrolidin-1-ium-2-carboxylic acid [3-(4-fluorophenyl)-4-keto-chromen-7-yl] ester Formula: C20H17FNO4+ MolecularWeight: 354.351683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H16FNO4/c21-13-5-3-12(4-6-13)16-11-25-18-10-14(7-8-15(18)19(16)23)26-20(24)17-2-1-9-22-17/h3-8,10-11,17,22H,1-2,9H2/p+1/t17-/m0/s1