5-bromanyl-2-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C17H21BrN3O4S+ MolecularWeight: 443.33534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C17H20BrN3O4S/c1-24-15-4-3-14(18)10-16(15)26(22,23)20-12-13-2-5-17(19-11-13)21-6-8-25-9-7-21/h2-5,10-11,20H,6-9,12H2,1H3/p+1