(E)-3-(4-dimethylaminophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-dimethylaminophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enamide Openeye Name: (E)-3-(4-dimethylaminophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(2-oxo-1-pyridyl)prop-2-enamide CAS Name: (E)-3-(4-dimethylaminophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-(2-oxo-1-pyridinyl)-2-propenamide IUPAC Name: (E)-3-(4-dimethylaminophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(2-oxopyridin-1-yl)prop-2-enamide Traditional Name: (E)-3-(4-dimethylaminophenyl)-2-(2-keto-1-pyridyl)-N-(3-morpholin-4-ium-4-ylpropyl)acrylamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C(=O)NCCC[NH+]2CCOCC2)N3C=CC=CC3=O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C(=O)NCCC[NH+]2CCOCC2)/N3C=CC=CC3=O

InChI

InChI=1S/C23H30N4O3/c1-25(2)20-9-7-19(8-10-20)18-21(27-13-4-3-6-22(27)28)23(29)24-11-5-12-26-14-16-30-17-15-26/h3-4,6-10,13,18H,5,11-12,14-17H2,1-2H3,(H,24,29)/p+1/b21-18+