(2R)-1-(2,4-dimethylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2R)-1-(2,4-dimethylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2R)-1-(2,4-dimethylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2R)-1-(2,4-dimethylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2R)-1-(2,4-dimethylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2R)-1-(2,4-dimethylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C20H26NO2+ MolecularWeight: 312.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC3=CC=CC=C3C2)O)C

InChI

InChI=1S/C20H25NO2/c1-15-7-8-20(16(2)11-15)23-14-19(22)13-21-10-9-17-5-3-4-6-18(17)12-21/h3-8,11,19,22H,9-10,12-14H2,1-2H3/p+1/t19-/m1/s1