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

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)OC

InChI

InChI=1S/C23H29N3O4/c1-17(2)30-20-7-4-18(14-21(20)28-3)6-9-23(27)25-16-19-5-8-22(24-15-19)26-10-12-29-13-11-26/h4-9,14-15,17H,10-13,16H2,1-3H3,(H,25,27)/p+1/b9-6+