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

Systemtic Name: (E)-2-cyano-N-(3-methoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-methoxyphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-methoxyphenyl)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-methoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-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=CC(=C1)NC(=O)C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)C#N

Isomeric SMILES

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

InChI

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