2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 2-phenylethanoate

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 2-phenylethanoate Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 2-phenylacetate CAS Name: 2-phenylacetic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OCCNC(=O)C2=C[NH+]=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OCCNC(=O)C2=C[NH+]=CC=C2

InChI

InChI=1S/C16H16N2O3/c19-15(11-13-5-2-1-3-6-13)21-10-9-18-16(20)14-7-4-8-17-12-14/h1-8,12H,9-11H2,(H,18,20)/p+1