2-(2,5-dimethylphenyl)sulfonylethyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-(2,5-dimethylphenyl)sulfonylethyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methyl-ammonium CAS Name: 2-(2,5-dimethylphenyl)sulfonylethyl-methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methylazanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-[2-(2,5-dimethylphenyl)sulfonylethyl]-methyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+](C)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+](C)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-18-9-10-19(2)22(13-18)28(26,27)12-11-24(3)15-21-14-23-25(17-21)16-20-7-5-4-6-8-20/h4-10,13-14,17H,11-12,15-16H2,1-3H3/p+1