3,4-dimethoxy-N-(2-morpholin-4-ium-4-yl-2-pyridin-3-yl-ethyl)benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-(2-morpholin-4-ium-4-yl-2-pyridin-3-yl-ethyl)benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[2-morpholin-4-ium-4-yl-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[2-(4-morpholin-4-iumyl)-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[2-morpholin-4-ium-4-yl-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)[NH+]3CCOCC3)OC

InChI

InChI=1S/C19H25N3O5S/c1-25-18-6-5-16(12-19(18)26-2)28(23,24)21-14-17(15-4-3-7-20-13-15)22-8-10-27-11-9-22/h3-7,12-13,17,21H,8-11,14H2,1-2H3/p+1