3-[(1S,2R)-6,7-dimethoxy-1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate

Systemtic Name: 3-[(1S,2R)-6,7-dimethoxy-1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate Openeye Name: 3-[(1S,2R)-6,7-dimethoxy-1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate CAS Name: 3-[(1S,2R)-6,7-dimethoxy-1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate IUPAC Name: 3-[(1S,2R)-6,7-dimethoxy-1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate Traditional Name: 3-[(1S,2R)-6,7-dimethoxy-1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl sulfate Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1C3=CC=C(C=C3)OC)OC)OC)CCCOS(=O)(=O)[O-]

Isomeric SMILES

C[N@@+]1(CCC2=CC(=C(C=C2[C@@H]1C3=CC=C(C=C3)OC)OC)OC)CCCOS(=O)(=O)[O-]

InChI

InChI=1S/C22H29NO7S/c1-23(11-5-13-30-31(24,25)26)12-10-17-14-20(28-3)21(29-4)15-19(17)22(23)16-6-8-18(27-2)9-7-16/h6-9,14-15,22H,5,10-13H2,1-4H3/t22-,23-/m0/s1