6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

Systemtic Name: 6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Openeye Name: 5-(4-isopropylsulfonylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride CAS Name: 6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride IUPAC Name: 6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride Traditional Name: 5-(4-isopropylsulfonylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium chloride Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC4=C(C=C3CC[NH+]2C)OCO4.[Cl-]

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC4=C(C=C3CC[NH+]2C)OCO4.[Cl-]

InChI

InChI=1S/C20H23NO4S.ClH/c1-13(2)26(22,23)16-6-4-14(5-7-16)20-17-11-19-18(24-12-25-19)10-15(17)8-9-21(20)3;/h4-7,10-11,13,20H,8-9,12H2,1-3H3;1H