3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C18H19FN5O3S+ MolecularWeight: 404.438563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C18H18FN5O3S/c19-15-6-2-4-8-17(15)28(26,27)23-11-9-22(10-12-23)13-24-18(25)14-5-1-3-7-16(14)20-21-24/h1-8H,9-13H2/p+1