3-[2,6-bis(fluoranyl)phenyl]-4-oxidanyl-2-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]-4-oxidanyl-2-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Openeye Name: 3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide CAS Name: 3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-1H-quinazoline-4-carboxamide IUPAC Name: 3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Traditional Name: 3-(2,6-difluorophenyl)-4-hydroxy-2-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C22H25F2N4O3+ MolecularWeight: 431.455706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2(C3=CC=CC=C3NC(=O)N2C4=C(C=CC=C4F)F)O

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2(C3=CC=CC=C3NC(=O)N2C4=C(C=CC=C4F)F)O

InChI

InChI=1S/C22H24F2N4O3/c23-16-8-5-9-17(24)19(16)28-21(30)26-18-10-2-1-7-15(18)22(28,31)20(29)25-11-6-14-27-12-3-4-13-27/h1-2,5,7-10,31H,3-4,6,11-14H2,(H,25,29)(H,26,30)/p+1