1-[2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]phenyl]propan-1-one Openeye Name: 1-[2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]phenyl]propan-1-one CAS Name: 1-[2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]phenyl]-1-propanone IUPAC Name: 1-[2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]phenyl]propan-1-one Traditional Name: 1-[2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]phenyl]propan-1-one Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H23NO2/c1-2-19(22)18-9-5-6-10-20(18)23-14-13-21-12-11-16-7-3-4-8-17(16)15-21/h3-10H,2,11-15H2,1H3/p+1