ethyl 2-tert-butyl-3-chloranyl-5-cyano-6-morpholin-4-yl-pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 2-tert-butyl-3-chloranyl-5-cyano-6-morpholin-4-yl-pyridin-1-ium-4-carboxylate Openeye Name: ethyl 2-tert-butyl-3-chloro-5-cyano-6-morpholino-pyridin-1-ium-4-carboxylate CAS Name: 2-tert-butyl-3-chloro-5-cyano-6-(4-morpholinyl)-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-3-chloro-5-cyano-6-morpholin-4-ylpyridin-1-ium-4-carboxylate Traditional Name: 2-tert-butyl-3-chloro-5-cyano-6-morpholino-pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C17H23ClN3O3+ MolecularWeight: 352.83582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=[NH+]C(=C1Cl)C(C)(C)C)N2CCOCC2)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=[NH+]C(=C1Cl)C(C)(C)C)N2CCOCC2)C#N

InChI

InChI=1S/C17H22ClN3O3/c1-5-24-16(22)12-11(10-19)15(21-6-8-23-9-7-21)20-14(13(12)18)17(2,3)4/h5-9H2,1-4H3/p+1