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

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one Formula: C16H18FN6OS+ MolecularWeight: 361.417123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C16H17FN6OS/c17-13-3-5-14(6-4-13)21-9-7-20(8-10-21)12-22-16(24)23(19-18-22)15-2-1-11-25-15/h1-6,11H,7-10,12H2/p+1