(2R)-1-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2R)-1-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxy-propan-2-ol Openeye Name: (2R)-1-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxy-propan-2-ol CAS Name: (2R)-1-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxy-2-propanol IUPAC Name: (2R)-1-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxypropan-2-ol Traditional Name: (2R)-1-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-3-phenoxy-propan-2-ol Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CC(COC3=CC=CC=C3)O)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1C[C@H](COC3=CC=CC=C3)O)OC)OC

InChI

InChI=1S/C21H27NO4/c1-15-19-12-21(25-3)20(24-2)11-16(19)9-10-22(15)13-17(23)14-26-18-7-5-4-6-8-18/h4-8,11-12,15,17,23H,9-10,13-14H2,1-3H3/p+1/t15-,17+/m0/s1