ethyl 1-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H25FN3O3+ MolecularWeight: 410.461303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3O3/c1-2-30-23(29)16-11-13-26(14-12-16)15-21-25-20-6-4-3-5-19(20)22(28)27(21)18-9-7-17(24)8-10-18/h3-10,16H,2,11-15H2,1H3/p+1