3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate

Systemtic Name: 3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate Openeye Name: 3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate CAS Name: 3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate IUPAC Name: 3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate Traditional Name: 3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCOC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCOC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H19NO3/c20-18(21)15-6-3-7-17(12-15)22-11-10-19-9-8-14-4-1-2-5-16(14)13-19/h1-7,12H,8-11,13H2,(H,20,21)