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

Systemtic Name: (E)-3-(3-chloranyl-4-methoxy-phenyl)-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-4-methoxy-phenyl)-N-(6-morpholinopyridin-1-ium-3-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-4-methoxyphenyl)-N-[6-(4-morpholinyl)-3-pyridin-1-iumyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-4-methoxyphenyl)-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-4-methoxy-phenyl)-N-(6-morpholinopyridin-1-ium-3-yl)acrylamide Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3)Cl

InChI

InChI=1S/C19H20ClN3O3/c1-25-17-5-2-14(12-16(17)20)3-7-19(24)22-15-4-6-18(21-13-15)23-8-10-26-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,24)/p+1/b7-3+