4-[[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-2,6-dimethyl-phenol

Systemtic Name: 4-[[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-2,6-dimethyl-phenol Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CC3=CC(=C(C(=C3)C)O)C)OC)OC

Isomeric SMILES

C[C@@H]1C2=CC(=C(C=C2CC[NH+]1CC3=CC(=C(C(=C3)C)O)C)OC)OC

InChI

InChI=1S/C21H27NO3/c1-13-8-16(9-14(2)21(13)23)12-22-7-6-17-10-19(24-4)20(25-5)11-18(17)15(22)3/h8-11,15,23H,6-7,12H2,1-5H3/p+1/t15-/m1/s1