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

Systemtic Name: 5-bromanyl-2-methoxy-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-(6-morpholinopyridin-1-ium-3-yl)benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[6-(4-morpholinyl)-3-pyridin-1-iumyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-(6-morpholinopyridin-1-ium-3-yl)benzenesulfonamide Formula: C16H19BrN3O4S+ MolecularWeight: 429.30876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C16H18BrN3O4S/c1-23-14-4-2-12(17)10-15(14)25(21,22)19-13-3-5-16(18-11-13)20-6-8-24-9-7-20/h2-5,10-11,19H,6-9H2,1H3/p+1