(E)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)acrylamide Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC[NH+]2CCOCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC[NH+]2CCOCC2)O

InChI

InChI=1S/C17H21N3O4/c1-23-16-11-13(2-3-15(16)21)10-14(12-18)17(22)19-4-5-20-6-8-24-9-7-20/h2-3,10-11,21H,4-9H2,1H3,(H,19,22)/p+1/b14-10+