2-[[4-(2-ethanoyl-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2-ethanoyl-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-acetyl-3-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2-acetyl-3-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-acetyl-3-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-acetyl-3-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H22FN4O2+ MolecularWeight: 381.423383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1F)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(=O)C1=C(C=CC=C1F)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21FN4O2/c1-14(27)20-16(22)6-4-8-18(20)26-11-9-25(10-12-26)13-19-23-17-7-3-2-5-15(17)21(28)24-19/h2-8H,9-13H2,1H3,(H,23,24,28)/p+1