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

Systemtic Name: 4-[(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Openeye Name: 4-[(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate CAS Name: 4-[(2,4-diphenyl-6-propyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide chlorate IUPAC Name: 4-[(2,4-diphenyl-6-propylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Traditional Name: 4-[(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Formula: C27H27ClN2O5S MolecularWeight: 527.03168

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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.[O-]Cl(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C27H27N2O2S.ClHO3/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;2-1(3)4/h3-8,10-19H,2,9,20H2,1H3,(H2,28,30,31);(H,2,3,4)/q+1;/p-1