ethyl 1-[3-[(E)-2-cyano-3-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-3-keto-prop-1-enyl]-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl]isonipecotic acid ethyl ester Formula: C23H27N4O5+ MolecularWeight: 439.48428

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5/c1-4-31-22(29)16-8-11-26(12-9-16)20-18(13-17(14-24)23(30)32-5-2)21(28)27-10-6-7-15(3)19(27)25-20/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3/p+1/b17-13+