1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazol-5-one Formula: C18H20FN6O3S+ MolecularWeight: 419.453203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H19FN6O3S/c19-15-6-8-17(9-7-15)29(27,28)23-12-10-22(11-13-23)14-24-18(26)25(21-20-24)16-4-2-1-3-5-16/h1-9H,10-14H2/p+1