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

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one Formula: C16H18ClN6OS+ MolecularWeight: 377.87172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN6OS/c17-13-3-1-4-14(11-13)21-8-6-20(7-9-21)12-22-16(24)23(19-18-22)15-5-2-10-25-15/h1-5,10-11H,6-9,12H2/p+1