pyridin-1-ium-2-ylmethyl 2-chloranyl-2-phenyl-ethanoate chloride

Systemtic Name: pyridin-1-ium-2-ylmethyl 2-chloranyl-2-phenyl-ethanoate chloride Openeye Name: pyridin-1-ium-2-ylmethyl 2-chloro-2-phenyl-acetate chloride CAS Name: 2-chloro-2-phenylacetic acid 2-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-2-ylmethyl 2-chloro-2-phenylacetate chloride Traditional Name: 2-chloro-2-phenyl-acetic acid pyridin-1-ium-2-ylmethyl ester chloride Formula: C14H13Cl2NO2 MolecularWeight: 298.16452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCC2=CC=CC=[NH+]2)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)OCC2=CC=CC=[NH+]2)Cl.[Cl-]

InChI

InChI=1S/C14H12ClNO2.ClH/c15-13(11-6-2-1-3-7-11)14(17)18-10-12-8-4-5-9-16-12;/h1-9,13H,10H2;1H