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

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-isopropyl-tetrazole-5-thione CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-propan-2-yl-5-tetrazolethione IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-yltetrazole-5-thione Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-isopropyl-tetrazole-5-thione Formula: C15H22ClN6S+ MolecularWeight: 353.89338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=S)N(N=N1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)N1C(=S)N(N=N1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H21ClN6S/c1-12(2)22-15(23)21(17-18-22)11-19-6-8-20(9-7-19)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3/p+1