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

Systemtic Name: 1-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-mesyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-4-ium Formula: C14H21N6O3S+ MolecularWeight: 353.41994

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O3S/c1-23-13-5-3-12(4-6-13)20-14(15-16-17-20)11-18-7-9-19(10-8-18)24(2,21)22/h3-6H,7-11H2,1-2H3/p+1