2-[2-(2-iodanyl-4-methyl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-(2-iodanyl-4-methyl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-(2-iodo-4-methyl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-(2-iodo-4-methylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-(2-iodo-4-methylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-(2-iodo-4-methyl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21INO+ MolecularWeight: 394.26991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[NH+]2CCC3=CC=CC=C3C2)I

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[NH+]2CCC3=CC=CC=C3C2)I

InChI

InChI=1S/C18H20INO/c1-14-6-7-18(17(19)12-14)21-11-10-20-9-8-15-4-2-3-5-16(15)13-20/h2-7,12H,8-11,13H2,1H3/p+1