1-(pyridin-1-ium-4-ylcarbamoyl)piperidine-4-carboxylic acid chloride

Systemtic Name: 1-(pyridin-1-ium-4-ylcarbamoyl)piperidine-4-carboxylic acid chloride Openeye Name: 1-(pyridin-1-ium-4-ylcarbamoyl)piperidine-4-carboxylic acid chloride CAS Name: 1-[oxo-(4-pyridin-1-iumylamino)methyl]-4-piperidinecarboxylic acid chloride IUPAC Name: 1-(pyridin-1-ium-4-ylcarbamoyl)piperidine-4-carboxylic acid chloride Traditional Name: 1-(pyridin-1-ium-4-ylcarbamoyl)isonipecotic acid chloride Formula: C12H16ClN3O3 MolecularWeight: 285.72674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)NC2=CC=[NH+]C=C2.[Cl-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)NC2=CC=[NH+]C=C2.[Cl-]

InChI

InChI=1S/C12H15N3O3.ClH/c16-11(17)9-3-7-15(8-4-9)12(18)14-10-1-5-13-6-2-10;/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)(H,13,14,18);1H