(Z)-3-(4-tert-butylphenyl)-2-cyano-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide

Systemtic Name: (Z)-3-(4-tert-butylphenyl)-2-cyano-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide Openeye Name: (Z)-3-(4-tert-butylphenyl)-2-cyano-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide CAS Name: (Z)-3-(4-tert-butylphenyl)-2-cyano-N-[3-(4-morpholin-4-iumyl)propyl]-2-propenamide IUPAC Name: (Z)-3-(4-tert-butylphenyl)-2-cyano-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide Traditional Name: (Z)-3-(4-tert-butylphenyl)-2-cyano-N-(3-morpholin-4-ium-4-ylpropyl)acrylamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-21(2,3)19-7-5-17(6-8-19)15-18(16-22)20(25)23-9-4-10-24-11-13-26-14-12-24/h5-8,15H,4,9-14H2,1-3H3,(H,23,25)/p+1/b18-15-