(2S)-2-(2-methoxy-5-methyl-phenyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2S)-2-(2-methoxy-5-methyl-phenyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-2-(2-methoxy-5-methyl-phenyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-2-(2-methoxy-5-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-2-(2-methoxy-5-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-2-(2-methoxy-5-methyl-phenyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2/c1-15-8-9-19(23-3)18(12-15)20(2,22)14-21-11-10-16-6-4-5-7-17(16)13-21/h4-9,12,22H,10-11,13-14H2,1-3H3/p+1/t20-/m1/s1