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

Systemtic Name: (2R)-1-(4-tert-butylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2R)-1-(4-tert-butylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2R)-1-(4-tert-butylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2R)-1-(4-tert-butylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2R)-1-(4-tert-butylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2/c1-22(2,3)19-8-10-21(11-9-19)25-16-20(24)15-23-13-12-17-6-4-5-7-18(17)14-23/h4-11,20,24H,12-16H2,1-3H3/p+1/t20-/m1/s1