2-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-(4-allyl-2-methoxy-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-(4-allyl-2-methoxy-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25NO2/c1-3-6-17-9-10-20(21(15-17)23-2)24-14-13-22-12-11-18-7-4-5-8-19(18)16-22/h3-5,7-10,15H,1,6,11-14,16H2,2H3/p+1