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

Systemtic Name: 4-[2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-[2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide CAS Name: 4-[2-(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-[2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-[2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)CC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)CC)C3=CC=CC=C3

InChI

InChI=1S/C23H27N2O2S/c1-3-21-16-20(19-8-6-5-7-9-19)17-22(4-2)25(21)15-14-18-10-12-23(13-11-18)28(24,26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H2,24,26,27)/q+1