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

Systemtic Name: 1-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium Formula: C16H25N6O3S+ MolecularWeight: 381.4731

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=C(C=C3)OC

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H24N6O3S/c1-3-12-26(23,24)21-10-8-20(9-11-21)13-16-17-18-19-22(16)14-4-6-15(25-2)7-5-14/h4-7H,3,8-13H2,1-2H3/p+1