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

Systemtic Name: pyridin-1-ium-2-ylmethyl 2-acetyloxy-2-phenyl-ethanoate chloride Openeye Name: pyridin-1-ium-2-ylmethyl 2-acetoxy-2-phenyl-acetate chloride CAS Name: 2-acetyloxy-2-phenylacetic acid 2-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-2-ylmethyl 2-acetyloxy-2-phenylacetate chloride Traditional Name: 2-acetoxy-2-phenyl-acetic acid pyridin-1-ium-2-ylmethyl ester chloride Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4.ClH/c1-12(18)21-15(13-7-3-2-4-8-13)16(19)20-11-14-9-5-6-10-17-14;/h2-10,15H,11H2,1H3;1H