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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)COC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)COC3=CC=CC(=C3)C(=O)[O-]

InChI

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