4-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide Openeye Name: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide CAS Name: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-pyridin-1-iumylmethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide Traditional Name: 4-chloro-N-homoveratryl-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide Formula: C22H24ClN2O4S+ MolecularWeight: 447.95496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H23ClN2O4S/c1-28-21-11-6-17(15-22(21)29-2)12-14-25(16-19-5-3-4-13-24-19)30(26,27)20-9-7-18(23)8-10-20/h3-11,13,15H,12,14,16H2,1-2H3/p+1