3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-quinazolin-4-one CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methylquinazolin-4-one Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-quinazolin-4-one Formula: C20H22FN4O+ MolecularWeight: 353.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

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