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

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C19H20FN4O3S+ MolecularWeight: 403.450503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C19H19FN4O3S/c20-14-4-3-5-15(12-14)28(26,27)24-10-8-23(9-11-24)13-18-21-17-7-2-1-6-16(17)19(25)22-18/h1-7,12H,8-11,13H2,(H,21,22,25)/p+1