methyl 5-cyano-2-methyl-6-morpholin-4-yl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-morpholin-4-yl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-cyano-2-methyl-6-morpholino-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-6-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-morpholino-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)N2CCOCC2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)N2CCOCC2)C#N)C(=O)OC

InChI

InChI=1S/C13H15N3O3/c1-9-11(13(17)18-2)7-10(8-14)12(15-9)16-3-5-19-6-4-16/h7H,3-6H2,1-2H3/p+1