(phenylmethyl) 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide

Systemtic Name: (phenylmethyl) 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide Openeye Name: benzyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide CAS Name: 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid (phenylmethyl) ester iodide IUPAC Name: benzyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide Traditional Name: 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid benzyl ester iodide Formula: C15H20INO2 MolecularWeight: 373.22927

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC=C(C1)C(=O)OCC2=CC=CC=C2)C.[I-]

Isomeric SMILES

C[N+]1(CCC=C(C1)C(=O)OCC2=CC=CC=C2)C.[I-]

InChI

InChI=1S/C15H20NO2.HI/c1-16(2)10-6-9-14(11-16)15(17)18-12-13-7-4-3-5-8-13;/h3-5,7-9H,6,10-12H2,1-2H3;1H/q+1;/p-1