6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 1-(4-isopropylsulfonylphenyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 1-(4-isopropylsulfonylphenyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C21H28ClNO4S MolecularWeight: 425.96932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.[Cl-]

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.[Cl-]

InChI

InChI=1S/C21H27NO4S.ClH/c1-14(2)27(23,24)17-8-6-15(7-9-17)21-18-13-20(26-5)19(25-4)12-16(18)10-11-22(21)3;/h6-9,12-14,21H,10-11H2,1-5H3;1H