(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-N-(6-morpholinopyridin-1-ium-3-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[6-(4-morpholinyl)-3-pyridin-1-iumyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-N-(6-morpholinopyridin-1-ium-3-yl)acrylamide Formula: C22H27ClN3O4+ MolecularWeight: 432.92048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C/C(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3)OC

InChI

InChI=1S/C22H26ClN3O4/c1-15(2)30-22-18(23)12-16(13-19(22)28-3)4-7-21(27)25-17-5-6-20(24-14-17)26-8-10-29-11-9-26/h4-7,12-15H,8-11H2,1-3H3,(H,25,27)/p+1/b7-4+