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

Systemtic Name: 1-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]methanesulfonamide Openeye Name: 1-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]methanesulfonamide CAS Name: 1-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]methanesulfonamide Traditional Name: 1-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]methanesulfonamide Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNS(=O)(=O)CC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNS(=O)(=O)CC2=CC=CC=C2)C)C

InChI

InChI=1S/C14H20N3O2S/c1-11-14(12(2)17(3)16-11)9-15-20(18,19)10-13-7-5-4-6-8-13/h4-8,14-15H,9-10H2,1-3H3/q+1