(E)-2-cyano-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)acrylamide Formula: C24H23N4O3+ MolecularWeight: 415.46442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)/C#N

InChI

InChI=1S/C24H22N4O3/c1-30-21-8-6-20(7-9-21)26-24(29)19(16-25)15-18-14-17-4-2-3-5-22(17)27-23(18)28-10-12-31-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,26,29)/p+1/b19-15+