4-bromanyl-3,5-dimethoxy-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C19H23BrN3O4+ MolecularWeight: 437.30762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3

InChI

InChI=1S/C19H22BrN3O4/c1-25-15-10-14(11-16(26-2)17(15)20)19(24)22-12-13-4-3-5-21-18(13)23-6-8-27-9-7-23/h3-5,10-11H,6-9,12H2,1-2H3,(H,22,24)/p+1