O1'-tert-butyl O1-methyl 3-ethenyl-4-[2-(6-methoxyquinolin-4-yl)ethyl]-2-oxidanylidene-piperidin-1-ium-1,1-dicarboxylate

Systemtic Name: O1'-tert-butyl O1-methyl 3-ethenyl-4-[2-(6-methoxyquinolin-4-yl)ethyl]-2-oxidanylidene-piperidin-1-ium-1,1-dicarboxylate Openeye Name: O1'-tert-butyl O1-methyl 4-[2-(6-methoxy-4-quinolyl)ethyl]-2-oxo-3-vinyl-piperidin-1-ium-1,1-dicarboxylate CAS Name: 3-ethenyl-4-[2-(6-methoxy-4-quinolinyl)ethyl]-2-oxopiperidin-1-ium-1,1-dicarboxylic acid O1'-tert-butyl ester O1-methyl ester IUPAC Name: 1-O'-tert-butyl 1-O-methyl 3-ethenyl-4-[2-(6-methoxyquinolin-4-yl)ethyl]-2-oxopiperidin-1-ium-1,1-dicarboxylate Traditional Name: 2-keto-4-[2-(6-methoxy-4-quinolyl)ethyl]-3-vinyl-piperidin-1-ium-1,1-dicarboxylic acid O1'-tert-butyl ester O1-methyl ester Formula: C26H33N2O6+ MolecularWeight: 469.55002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(C(C1=O)C=C)CCC2=C3C=C(C=CC3=NC=C2)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(C(C1=O)C=C)CCC2=C3C=C(C=CC3=NC=C2)OC)C(=O)OC

InChI

InChI=1S/C26H33N2O6/c1-7-20-18(9-8-17-12-14-27-22-11-10-19(32-5)16-21(17)22)13-15-28(23(20)29,24(30)33-6)25(31)34-26(2,3)4/h7,10-12,14,16,18,20H,1,8-9,13,15H2,2-6H3/q+1