4-[2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-[2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-[2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide CAS Name: 4-[2-(2-butyl-4,6-diphenyl-1-pyridin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-[2-(2-butyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-[2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide Formula: C29H31N2O2S+ MolecularWeight: 471.63364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N2O2S/c1-2-3-14-27-21-26(24-10-6-4-7-11-24)22-29(25-12-8-5-9-13-25)31(27)20-19-23-15-17-28(18-16-23)34(30,32)33/h4-13,15-18,21-22H,2-3,14,19-20H2,1H3,(H2,30,32,33)/q+1