2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethoxy)benzoate

Systemtic Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethoxy)benzoate Openeye Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethoxy)benzoate CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethoxy)benzoate IUPAC Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethoxy)benzoate Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethoxy)benzoate Formula: C17H17NO3 MolecularWeight: 283.32178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)COC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)COC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H17NO3/c19-17(20)15-7-3-4-8-16(15)21-12-18-10-9-13-5-1-2-6-14(13)11-18/h1-8H,9-12H2,(H,19,20)