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

Systemtic Name: 1-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C17H21N6O3S2+ MolecularWeight: 421.51704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H20N6O3S2/c1-26-15-6-4-14(5-7-15)23-16(18-19-20-23)13-21-8-10-22(11-9-21)28(24,25)17-3-2-12-27-17/h2-7,12H,8-11,13H2,1H3/p+1