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

Systemtic Name: 2-[(1S)-1-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoate Openeye Name: 2-[(1S)-1-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate CAS Name: 2-[(1S)-1-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate IUPAC Name: 2-[(1S)-1-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[(1S)-1-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate Formula: C17H18N2O2 MolecularWeight: 282.33702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C2=CC=CC=C21)CC3=CC=NC=C3)CC(=O)[O-]

Isomeric SMILES

C1C[NH+]([C@H](C2=CC=CC=C21)CC3=CC=NC=C3)CC(=O)[O-]

InChI

InChI=1S/C17H18N2O2/c20-17(21)12-19-10-7-14-3-1-2-4-15(14)16(19)11-13-5-8-18-9-6-13/h1-6,8-9,16H,7,10-12H2,(H,20,21)/t16-/m0/s1