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

Systemtic Name: 2-[(1R)-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoate Openeye Name: 2-[(1R)-1-(4-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate CAS Name: 2-[(1R)-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate IUPAC Name: 2-[(1R)-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[(1R)-1-(4-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C2=CC=CC=C21)C3=CC=NC=C3)CC(=O)[O-]

Isomeric SMILES

C1C[NH+]([C@@H](C2=CC=CC=C21)C3=CC=NC=C3)CC(=O)[O-]

InChI

InChI=1S/C16H16N2O2/c19-15(20)11-18-10-7-12-3-1-2-4-14(12)16(18)13-5-8-17-9-6-13/h1-6,8-9,16H,7,10-11H2,(H,19,20)/t16-/m1/s1