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

Systemtic Name: 1-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one Formula: C17H21N6OS+ MolecularWeight: 357.45324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C17H20N6OS/c1-14-5-2-3-6-15(14)21-10-8-20(9-11-21)13-22-17(24)23(19-18-22)16-7-4-12-25-16/h2-7,12H,8-11,13H2,1H3/p+1