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

Systemtic Name: 1-ethylsulfonyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-ethylsulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-ethylsulfonyl-4-[(1-phenyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-ethylsulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-esyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C14H21N6O2S+ MolecularWeight: 337.42054

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H20N6O2S/c1-2-23(21,22)19-10-8-18(9-11-19)12-14-15-16-17-20(14)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/p+1