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

Systemtic Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate Openeye Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate CAS Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate IUPAC Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzoate Traditional Name: 4-[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=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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