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

Systemtic Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate Openeye Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate IUPAC Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Formula: C11H13NO2 MolecularWeight: 191.22642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2/c13-11(14)8-12-6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H,13,14)