(E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acrylamide Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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