1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonyl-piperazin-1-ium Openeye Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonyl-piperazin-1-ium CAS Name: 1-[(1,5-dimethyl-4-pyrazolyl)methyl]-4-ethylsulfonylpiperazin-1-ium IUPAC Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazin-1-ium Traditional Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-esyl-piperazin-1-ium Formula: C12H23N4O2S+ MolecularWeight: 287.40162

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=C(N(N=C2)C)C

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=C(N(N=C2)C)C

InChI

InChI=1S/C12H22N4O2S/c1-4-19(17,18)16-7-5-15(6-8-16)10-12-9-13-14(3)11(12)2/h9H,4-8,10H2,1-3H3/p+1