ethyl 1-[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl]isonipecotic acid ethyl ester Formula: C22H25N4O5+ MolecularWeight: 425.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C22H24N4O5/c1-4-31-22(29)15-7-10-25(11-8-15)19-17(12-16(13-23)21(28)30-3)20(27)26-9-5-6-14(2)18(26)24-19/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3/p+1/b16-12+