(2S)-1-(4-propan-2-ylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-propan-2-ylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(4-isopropylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(4-propan-2-ylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(4-propan-2-ylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(4-isopropylphenoxy)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2/c1-16(2)17-7-9-21(10-8-17)24-15-20(23)14-22-12-11-18-5-3-4-6-19(18)13-22/h3-10,16,20,23H,11-15H2,1-2H3/p+1/t20-/m0/s1