(E)-3-(4-tert-butylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(4-tert-butylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(4-tert-butylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(4-tert-butylphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(4-tert-butylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(4-tert-butylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C23H29N3O2/c1-23(2,3)20-8-4-18(5-9-20)7-11-22(27)25-17-19-6-10-21(24-16-19)26-12-14-28-15-13-26/h4-11,16H,12-15,17H2,1-3H3,(H,25,27)/p+1/b11-7+