2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]ethanoate

Systemtic Name: 2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]ethanoate Openeye Name: 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]acetate IUPAC Name: 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]acetate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NCC(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NCC(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c16-12(14-7-13(17)18)9-15-6-5-10-3-1-2-4-11(10)8-15/h1-4H,5-9H2,(H,14,16)(H,17,18)