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

Systemtic Name: 4-[(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Openeye Name: 4-[(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate CAS Name: 4-[(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide chlorate IUPAC Name: 4-[(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Traditional Name: 4-[(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N2O2S.ClHO3/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;2-1(3)4/h5-15H,3-4,16H2,1-2H3,(H2,23,25,26);(H,2,3,4)/q+1;/p-1