(Z)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-propenamide IUPAC Name: (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)acrylamide Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-24-17-12-14(3-4-16(17)22)11-15(13-19)18(23)20-5-2-6-21-7-9-25-10-8-21/h3-4,11-12,22H,2,5-10H2,1H3,(H,20,23)/p+1/b15-11-