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

Systemtic Name: (2S)-1-(3-methylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(3-methylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(3-methylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(3-methylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(3-methylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C19H24NO2+ MolecularWeight: 298.39936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2/c1-15-5-4-8-19(11-15)22-14-18(21)13-20-10-9-16-6-2-3-7-17(16)12-20/h2-8,11,18,21H,9-10,12-14H2,1H3/p+1/t18-/m0/s1