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

Systemtic Name: 4-bromanyl-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 4-bromo-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 4-bromo-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C17H21BrN3O3S+ MolecularWeight: 427.33594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-13-10-15(3-4-16(13)18)25(22,23)20-12-14-2-5-17(19-11-14)21-6-8-24-9-7-21/h2-5,10-11,20H,6-9,12H2,1H3/p+1