2-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]ethyl-ethyl-azanium

Systemtic Name: 2-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]ethyl-ethyl-azanium Openeye Name: 2-[3,5-dimethyl-1-(p-tolylsulfonyl)pyrazol-4-yl]ethyl-ethyl-ammonium CAS Name: 2-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-pyrazolyl]ethyl-ethylammonium IUPAC Name: 2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazol-4-yl]ethyl-ethylazanium Traditional Name: 2-(3,5-dimethyl-1-tosyl-pyrazol-4-yl)ethyl-ethyl-ammonium Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CC[NH2+]CCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C16H23N3O2S/c1-5-17-11-10-16-13(3)18-19(14(16)4)22(20,21)15-8-6-12(2)7-9-15/h6-9,17H,5,10-11H2,1-4H3/p+1