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

Systemtic Name: (E)-3-(4-tert-butylphenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Openeye Name: (E)-3-(4-tert-butylphenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide CAS Name: (E)-3-(4-tert-butylphenyl)-2-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-tert-butylphenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Traditional Name: (E)-3-(4-tert-butylphenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)acrylamide Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-20(2,3)18-6-4-16(5-7-18)14-17(15-21)19(24)22-8-9-23-10-12-25-13-11-23/h4-7,14H,8-13H2,1-3H3,(H,22,24)/p+1/b17-14+