4-[(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide Openeye Name: 4-[(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide CAS Name: 4-[(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: 4-[(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide Traditional Name: 4-[(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)CC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)CC)C3=CC=CC=C3

InChI

InChI=1S/C22H25N2O2S/c1-3-20-14-19(18-8-6-5-7-9-18)15-21(4-2)24(20)16-17-10-12-22(13-11-17)27(23,25)26/h5-15H,3-4,16H2,1-2H3,(H2,23,25,26)/q+1