azanium 3,3-dicyano-2-(3-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate

Systemtic Name: azanium 3,3-dicyano-2-(3-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate Openeye Name: ammonium 3,3-dicyano-2-(3-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate CAS Name: ammonium 3,3-dicyano-2-(3-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate IUPAC Name: azanium 3,3-dicyano-2-(3-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate Traditional Name: ammonium 3,3-dicyano-2-(3-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate Formula: C21H17FN4O2 MolecularWeight: 376.383683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=CC(=CC=C4)F)C(=O)[O-].[NH4+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=CC(=CC=C4)F)C(=O)[O-].[NH4+]

InChI

InChI=1S/C21H14FN3O2.H3N/c22-15-6-3-5-14(10-15)18-19(20(26)27)25-16-7-2-1-4-13(16)8-9-17(25)21(18,11-23)12-24;/h1-10,17-19H,(H,26,27);1H3