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

Systemtic Name: (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-morpholinophenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-[4-(4-morpholinyl)phenyl]-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-morpholinophenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)acrylamide Formula: C27H28N5O3+ MolecularWeight: 470.54292

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(=CC3=CC4=CC=CC=C4[NH+]=C3N5CCOCC5)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C(=C/C3=CC4=CC=CC=C4[NH+]=C3N5CCOCC5)/C#N

InChI

InChI=1S/C27H27N5O3/c28-19-22(27(33)29-23-5-7-24(8-6-23)31-9-13-34-14-10-31)18-21-17-20-3-1-2-4-25(20)30-26(21)32-11-15-35-16-12-32/h1-8,17-18H,9-16H2,(H,29,33)/p+1/b22-18+