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

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[(2-morpholinopyridin-1-ium-4-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=CC(=[NH+]C=C2)N3CCOCC3

Isomeric SMILES

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

InChI

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