1-(4-methoxyphenyl)-4-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(4-methoxyphenyl)-4-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-methoxyphenyl)-4-[[4-(3-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]tetrazole-5-thione CAS Name: 1-(4-methoxyphenyl)-4-[[4-(3-thiophenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-tetrazolethione IUPAC Name: 1-(4-methoxyphenyl)-4-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]tetrazole-5-thione Traditional Name: 1-(4-methoxyphenyl)-4-[[4-(3-thenyl)piperazine-1,4-diium-1-yl]methyl]tetrazole-5-thione Formula: C18H24N6OS2+2 MolecularWeight: 404.55276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C18H22N6OS2/c1-25-17-4-2-16(3-5-17)24-18(26)23(19-20-24)14-22-9-7-21(8-10-22)12-15-6-11-27-13-15/h2-6,11,13H,7-10,12,14H2,1H3/p+2