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

Systemtic Name: 3-bromanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 3-bromo-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 3-bromo-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-bromo-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 3-bromo-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C16H19BrN3O3S+ MolecularWeight: 413.30936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H18BrN3O3S/c17-14-2-1-3-15(10-14)24(21,22)19-12-13-4-5-16(18-11-13)20-6-8-23-9-7-20/h1-5,10-11,19H,6-9,12H2/p+1