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

Systemtic Name: 1-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-mesyl-4-[(1-p-phenetyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C15H23N6O3S+ MolecularWeight: 367.44652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C15H22N6O3S/c1-3-24-14-6-4-13(5-7-14)21-15(16-17-18-21)12-19-8-10-20(11-9-19)25(2,22)23/h4-7H,3,8-12H2,1-2H3/p+1