1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-tetrazole-5-thione CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-5-tetrazolethione IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyltetrazole-5-thione Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-tetrazole-5-thione Formula: C13H18ClN6S+ MolecularWeight: 325.84022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(N=N1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C(=S)N(N=N1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H17ClN6S/c1-17-13(21)20(16-15-17)10-18-5-7-19(8-6-18)12-4-2-3-11(14)9-12/h2-4,9H,5-8,10H2,1H3/p+1