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

Systemtic Name: 1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium CAS Name: 1-[(1-phenyl-5-tetrazolyl)methyl]-4-(3-pyridinylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-1-ium Traditional Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium Formula: C17H20N7O2S+ MolecularWeight: 386.4514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O2S/c25-27(26,16-7-4-8-18-13-16)23-11-9-22(10-12-23)14-17-19-20-21-24(17)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1