dimethyl-[2-[3-[3-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[3-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]ethyl]azanium Openeye Name: dimethyl-[2-[3-[3-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]ethyl]ammonium CAS Name: dimethyl-[2-[3-[3-(4-methylsulfonylphenyl)phenyl]-1-pyrazolyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[3-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]ethyl]azanium Traditional Name: 2-[3-[3-(4-mesylphenyl)phenyl]pyrazol-1-yl]ethyl-dimethyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=CC(=N1)C2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CCN1C=CC(=N1)C2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O2S/c1-22(2)13-14-23-12-11-20(21-23)18-6-4-5-17(15-18)16-7-9-19(10-8-16)26(3,24)25/h4-12,15H,13-14H2,1-3H3/p+1