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

Systemtic Name: (2R)-1-(4-propylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2R)-1-(4-propylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2R)-1-(4-propylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2R)-1-(4-propylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2R)-1-(4-propylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH+]2CCC3=CC=CC=C3C2)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C21H27NO2/c1-2-5-17-8-10-21(11-9-17)24-16-20(23)15-22-13-12-18-6-3-4-7-19(18)14-22/h3-4,6-11,20,23H,2,5,12-16H2,1H3/p+1/t20-/m1/s1