4-oxidanylidene-4-(2-pyridin-1-ium-3-ylpiperidin-1-yl)butanoic acid chloride

Systemtic Name: 4-oxidanylidene-4-(2-pyridin-1-ium-3-ylpiperidin-1-yl)butanoic acid chloride Openeye Name: 4-oxo-4-(2-pyridin-1-ium-3-yl-1-piperidyl)butanoic acid chloride CAS Name: 4-oxo-4-[2-(3-pyridin-1-iumyl)-1-piperidinyl]butanoic acid chloride IUPAC Name: 4-oxo-4-(2-pyridin-1-ium-3-ylpiperidin-1-yl)butanoic acid chloride Traditional Name: 4-keto-4-(2-pyridin-1-ium-3-ylpiperidino)butyric acid chloride Formula: C14H19ClN2O3 MolecularWeight: 298.76526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=C[NH+]=CC=C2)C(=O)CCC(=O)O.[Cl-]

Isomeric SMILES

C1CCN(C(C1)C2=C[NH+]=CC=C2)C(=O)CCC(=O)O.[Cl-]

InChI

InChI=1S/C14H18N2O3.ClH/c17-13(6-7-14(18)19)16-9-2-1-5-12(16)11-4-3-8-15-10-11;/h3-4,8,10,12H,1-2,5-7,9H2,(H,18,19);1H