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

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-phenylethanoate Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-phenylacetate CAS Name: 2-phenylacetic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester Formula: C17H19N2O3+ MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/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/p+1