pyridin-1-ium; 2-pyridin-1-ium-1-ylethanoate; chloride

Systemtic Name: pyridin-1-ium; 2-pyridin-1-ium-1-ylethanoate; chloride Openeye Name: pyridin-1-ium; 2-pyridin-1-ium-1-ylacetate; chloride CAS Name: pyridin-1-ium; 2-(1-pyridin-1-iumyl)acetate; chloride IUPAC Name: pyridin-1-ium; 2-pyridin-1-ium-1-ylacetate; chloride Traditional Name: pyridin-1-ium; 2-pyridin-1-ium-1-ylacetate; chloride Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=CC=[N+](C=C1)CC(=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC=[N+](C=C1)CC(=O)[O-].[Cl-]

InChI

InChI=1S/C7H7NO2.C5H5N.ClH/c9-7(10)6-8-4-2-1-3-5-8;1-2-4-6-5-3-1;/h1-5H,6H2;1-5H;1H