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

Systemtic Name: 1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(1-phenyl-5-tetrazolyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H19N6O2S2+ MolecularWeight: 391.49106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H18N6O2S2/c23-26(24,16-7-4-12-25-16)21-10-8-20(9-11-21)13-15-17-18-19-22(15)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2/p+1