pyridin-1-ium-2-ylmethyl 2-phenylbutanoate chloride

Systemtic Name: pyridin-1-ium-2-ylmethyl 2-phenylbutanoate chloride Openeye Name: pyridin-1-ium-2-ylmethyl 2-phenylbutanoate chloride CAS Name: 2-phenylbutanoic acid 2-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-2-ylmethyl 2-phenylbutanoate chloride Traditional Name: 2-phenylbutyric acid pyridin-1-ium-2-ylmethyl ester chloride Formula: C16H18ClNO2 MolecularWeight: 291.77262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2.ClH/c1-2-15(13-8-4-3-5-9-13)16(18)19-12-14-10-6-7-11-17-14;/h3-11,15H,2,12H2,1H3;1H