1-(2,5-dimethylphenyl)sulfonyl-4-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1-propyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C17H27N6O2S+ MolecularWeight: 379.50028

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCN1C(=NN=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C17H26N6O2S/c1-4-7-23-17(18-19-20-23)13-21-8-10-22(11-9-21)26(24,25)16-12-14(2)5-6-15(16)3/h5-6,12H,4,7-11,13H2,1-3H3/p+1