2-[2-(4-fluoranylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-amine

Systemtic Name: 2-[2-(4-fluoranylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-amine Openeye Name: 2-[2-(4-fluorophenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-amine CAS Name: 2-[2-(4-fluorophenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-amine IUPAC Name: 2-[2-(4-fluorophenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-amine Traditional Name: [2-[2-(4-fluorophenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]amine Formula: C17H20FN2O+ MolecularWeight: 287.351903

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)N)CCOC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)N)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN2O/c18-15-2-5-17(6-3-15)21-10-9-20-8-7-13-1-4-16(19)11-14(13)12-20/h1-6,11H,7-10,12,19H2/p+1