3-pyridin-3-ylpropyl 1-oxidanylidene-2-(2-oxidanylidene-2-phenyl-ethanoyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 1-oxidanylidene-2-(2-oxidanylidene-2-phenyl-ethanoyl)piperidin-1-ium-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl 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 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 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 3-(3-pyridyl)propyl ester Formula: C22H23N2O5+ MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=O)C(C1)(C(=O)C(=O)C2=CC=CC=C2)C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

C1CC[N+](=O)C(C1)(C(=O)C(=O)C2=CC=CC=C2)C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C22H23N2O5/c25-19(18-10-2-1-3-11-18)20(26)22(12-4-5-14-24(22)28)21(27)29-15-7-9-17-8-6-13-23-16-17/h1-3,6,8,10-11,13,16H,4-5,7,9,12,14-15H2/q+1