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

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]-6-bromanyl-4-oxidanyl-2-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N-[3-(1-piperidin-1-iumyl)propyl]-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-keto-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C23H26BrF2N4O3+ MolecularWeight: 524.378346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=C(C=CC=C4F)F)O

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=C(C=CC=C4F)F)O

InChI

InChI=1S/C23H25BrF2N4O3/c24-15-8-9-19-16(14-15)23(33,21(31)27-10-5-13-29-11-2-1-3-12-29)30(22(32)28-19)20-17(25)6-4-7-18(20)26/h4,6-9,14,33H,1-3,5,10-13H2,(H,27,31)(H,28,32)/p+1