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

Systemtic Name: 2-[(1R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C20H22FN4O+ MolecularWeight: 353.413283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O/c1-14(19-22-18-5-3-2-4-17(18)20(26)23-19)24-10-12-25(13-11-24)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,23,26)/p+1/t14-/m1/s1