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

Systemtic Name: 1-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium CAS Name: 1-[[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-4-(3-pyridinylsulfonyl)piperazin-1-ium IUPAC Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium Formula: C18H22N7O3S+ MolecularWeight: 416.47738

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O3S/c1-28-16-6-4-15(5-7-16)25-18(20-21-22-25)14-23-9-11-24(12-10-23)29(26,27)17-3-2-8-19-13-17/h2-8,13H,9-12,14H2,1H3/p+1