(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H22FN2O3+ MolecularWeight: 381.420083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3(CCCC3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3(CCCC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H21FN2O3/c1-15-6-5-11-25-19(26)13-18(24-20(15)25)14-28-21(27)22(9-2-3-10-22)16-7-4-8-17(23)12-16/h4-8,11-13H,2-3,9-10,14H2,1H3/p+1