2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-phenylethanoate iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-phenylethanoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-phenylacetate iodide CAS Name: 2-phenylacetic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-phenylacetate iodide Traditional Name: 2-phenylacetic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C17H19IN2O3 MolecularWeight: 426.24883

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)CC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C17H18N2O3.HI/c1-19-10-5-8-15(13-19)17(21)18-9-11-22-16(20)12-14-6-3-2-4-7-14;/h2-8,10,13H,9,11-12H2,1H3;1H