2-[4-(4-methoxyphenoxy)but-2-ynyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[4-(4-methoxyphenoxy)but-2-ynyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[4-(4-methoxyphenoxy)but-2-ynyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[4-(4-methoxyphenoxy)but-2-ynyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[4-(4-methoxyphenoxy)but-2-ynyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[4-(4-methoxyphenoxy)but-2-ynyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H22NO2+ MolecularWeight: 308.39418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2/c1-22-19-8-10-20(11-9-19)23-15-5-4-13-21-14-12-17-6-2-3-7-18(17)16-21/h2-3,6-11H,12-16H2,1H3/p+1