2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]ethanoate

Systemtic Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]ethanoate Openeye Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]acetate CAS Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]acetate IUPAC Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]acetate Traditional Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]acetate Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)OCC(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)OCC(=O)[O-]

InChI

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