(E)-3-(2-bromanyl-4-methyl-phenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(2-bromo-4-methyl-phenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(2-bromo-4-methylphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2-bromo-4-methylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C20H23BrN3O2+ MolecularWeight: 417.31952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O2/c1-15-2-4-17(18(21)12-15)5-7-20(25)23-14-16-3-6-19(22-13-16)24-8-10-26-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)/p+1/b7-5+