2-[(1R)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

InChI

InChI=1S/C22H23FN4O2/c1-14(21-24-19-6-4-3-5-17(19)22(29)25-21)26-9-11-27(12-10-26)20-8-7-16(15(2)28)13-18(20)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,29)/p+1/t14-/m1/s1