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

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Formula: C19H18N2O2 MolecularWeight: 306.35842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C(C3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@H](C3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C19H18N2O2/c22-19(23)18(16-11-20-17-8-4-3-7-15(16)17)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11,18,20H,9-10,12H2,(H,22,23)/t18-/m1/s1