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

Systemtic Name: 1-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C21H22FN4O2+ MolecularWeight: 381.423383

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2/c22-15-5-7-16(8-6-15)26-19(13-25-11-9-14(10-12-25)20(23)27)24-18-4-2-1-3-17(18)21(26)28/h1-8,14H,9-13H2,(H2,23,27)/p+1