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

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)acrylamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NCC[NH+]2CCOCC2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC[NH+]2CCOCC2

InChI

InChI=1S/C20H27N3O3/c1-2-3-12-26-19-6-4-17(5-7-19)15-18(16-21)20(24)22-8-9-23-10-13-25-14-11-23/h4-7,15H,2-3,8-14H2,1H3,(H,22,24)/p+1/b18-15+