[1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] ethanoate chloride

Systemtic Name: [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] ethanoate chloride Openeye Name: [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride CAS Name: acetic acid [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] ester chloride IUPAC Name: [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride Traditional Name: acetic acid [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] ester chloride Formula: C22H27Cl2NO4 MolecularWeight: 440.36008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1C2=CC(=C(C=C2CC[NH+]1C)OC)OC)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

CC(=O)OC(CC1C2=CC(=C(C=C2CC[NH+]1C)OC)OC)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C22H26ClNO4.ClH/c1-14(25)28-20(15-5-7-17(23)8-6-15)13-19-18-12-22(27-4)21(26-3)11-16(18)9-10-24(19)2;/h5-8,11-12,19-20H,9-10,13H2,1-4H3;1H