4-[(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide Openeye Name: 4-[(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide CAS Name: 4-[(2,4-diphenyl-6-propyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: 4-[(2,4-diphenyl-6-propylpyridin-1-ium-1-yl)methyl]benzenesulfonamide Traditional Name: 4-[(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide Formula: C27H27N2O2S+ MolecularWeight: 443.58048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N2O2S/c1-2-9-25-18-24(22-10-5-3-6-11-22)19-27(23-12-7-4-8-13-23)29(25)20-21-14-16-26(17-15-21)32(28,30)31/h3-8,10-19H,2,9,20H2,1H3,(H2,28,30,31)/q+1