2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO+ MolecularWeight: 310.45312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO/c1-16(2)20-9-8-17(3)14-21(20)23-13-12-22-11-10-18-6-4-5-7-19(18)15-22/h4-9,14,16H,10-13,15H2,1-3H3/p+1