1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(p-tolylmethyl)piperazin-4-ium CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylbenzyl)piperazin-4-ium Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(N=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(N=C3C)C

InChI

InChI=1S/C17H24N4O2S/c1-14-4-6-16(7-5-14)12-20-8-10-21(11-9-20)24(22,23)17-13-19(3)18-15(17)2/h4-7,13H,8-12H2,1-3H3/p+1