1-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride

Systemtic Name: 1-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Openeye Name: 1-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride CAS Name: 1-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride IUPAC Name: 1-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Traditional Name: 1-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(C2=C(C1C3=CC=C(C=C3)OC)C=CC(=C2)O)O.[Cl-]

Isomeric SMILES

C[NH+]1CC(C2=C(C1C3=CC=C(C=C3)OC)C=CC(=C2)O)O.[Cl-]

InChI

InChI=1S/C17H19NO3.ClH/c1-18-10-16(20)15-9-12(19)5-8-14(15)17(18)11-3-6-13(21-2)7-4-11;/h3-9,16-17,19-20H,10H2,1-2H3;1H