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

Systemtic Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2-morpholinoquinolin-1-ium-3-yl)-N-p-phenetyl-acrylamide Formula: C25H25N4O3+ MolecularWeight: 429.491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)/C#N

InChI

InChI=1S/C25H24N4O3/c1-2-32-22-9-7-21(8-10-22)27-25(30)20(17-26)16-19-15-18-5-3-4-6-23(18)28-24(19)29-11-13-31-14-12-29/h3-10,15-16H,2,11-14H2,1H3,(H,27,30)/p+1/b20-16+