2-[[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]-(phenylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]-(phenylmethyl)azaniumyl]ethanoate Openeye Name: 2-[benzyl-[2-oxo-2-(3-pyridylamino)ethyl]ammonio]acetate CAS Name: 2-[[2-oxo-2-(3-pyridinylamino)ethyl]-(phenylmethyl)ammonio]acetate IUPAC Name: 2-[benzyl-[2-oxo-2-(pyridin-3-ylamino)ethyl]azaniumyl]acetate Traditional Name: 2-[benzyl-[2-keto-2-(3-pyridylamino)ethyl]ammonio]acetate Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC(=O)NC2=CN=CC=C2)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC(=O)NC2=CN=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C16H17N3O3/c20-15(18-14-7-4-8-17-9-14)11-19(12-16(21)22)10-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,18,20)(H,21,22)