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

Systemtic Name: 1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Openeye Name: 1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride CAS Name: 1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride IUPAC Name: 1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Formula: C18H21Cl2NO2 MolecularWeight: 354.27084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)O)O.[Cl-]

Isomeric SMILES

C[NH+]1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)O)O.[Cl-]

InChI

InChI=1S/C18H20ClNO2.ClH/c1-20-9-8-13-10-17(21)18(22)11-15(13)16(20)7-4-12-2-5-14(19)6-3-12;/h2-3,5-6,10-11,16,21-22H,4,7-9H2,1H3;1H