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

Systemtic Name: 4-oxidanylidene-4-(2-pyridin-1-ium-3-ylpiperidin-1-yl)butanoic acid Openeye Name: 4-oxo-4-(2-pyridin-1-ium-3-yl-1-piperidyl)butanoic acid CAS Name: 4-oxo-4-[2-(3-pyridin-1-iumyl)-1-piperidinyl]butanoic acid IUPAC Name: 4-oxo-4-(2-pyridin-1-ium-3-ylpiperidin-1-yl)butanoic acid Traditional Name: 4-keto-4-(2-pyridin-1-ium-3-ylpiperidino)butyric acid Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/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)/p+1