4-(4-methoxyphenyl)butyl 1-oxidanylidene-2-(2-oxidanylidene-2-phenyl-ethanoyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 4-(4-methoxyphenyl)butyl 1-oxidanylidene-2-(2-oxidanylidene-2-phenyl-ethanoyl)piperidin-1-ium-2-carboxylate Openeye Name: 4-(4-methoxyphenyl)butyl 1-oxo-2-(2-oxo-2-phenyl-acetyl)piperidin-1-ium-2-carboxylate CAS Name: 2-(1,2-dioxo-2-phenylethyl)-1-oxo-2-piperidin-1-iumcarboxylic acid 4-(4-methoxyphenyl)butyl ester IUPAC Name: 4-(4-methoxyphenyl)butyl 1-oxo-2-(2-oxo-2-phenylacetyl)piperidin-1-ium-2-carboxylate Traditional Name: 1-keto-2-(2-keto-2-phenyl-acetyl)piperidin-1-ium-2-carboxylic acid 4-(4-methoxyphenyl)butyl ester Formula: C25H28NO6+ MolecularWeight: 438.49292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCOC(=O)C2(CCCC[N+]2=O)C(=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCCOC(=O)C2(CCCC[N+]2=O)C(=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28NO6/c1-31-21-14-12-19(13-15-21)9-5-8-18-32-24(29)25(16-6-7-17-26(25)30)23(28)22(27)20-10-3-2-4-11-20/h2-4,10-15H,5-9,16-18H2,1H3/q+1