4-chloranyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzenesulfonamide CAS Name: 4-chloro-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzenesulfonamide Traditional Name: 4-chloro-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzenesulfonamide Formula: C13H17ClN3O2S+ MolecularWeight: 314.81098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNS(=O)(=O)C2=CC=C(C=C2)Cl)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNS(=O)(=O)C2=CC=C(C=C2)Cl)C)C

InChI

InChI=1S/C13H17ClN3O2S/c1-9-13(10(2)17(3)16-9)8-15-20(18,19)12-6-4-11(14)5-7-12/h4-7,13,15H,8H2,1-3H3/q+1