(E)-2-cyano-3-(2-morpholin-4-yl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2-morpholin-4-yl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2-morpholino-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-morpholinyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(2-morpholin-4-yl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-keto-2-morpholino-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acrylamide Formula: C16H16N5O3+ MolecularWeight: 326.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)N

Isomeric SMILES

C1COCCN1C2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C16H15N5O3/c17-10-11(14(18)22)9-12-15(20-5-7-24-8-6-20)19-13-3-1-2-4-21(13)16(12)23/h1-4,9H,5-8H2,(H2,18,22)/p+1/b11-9+