6,7-dimethoxy-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C18H22ClNO3 MolecularWeight: 335.82518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC.[Cl-]

Isomeric SMILES

COC1=CC=CC(=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC.[Cl-]

InChI

InChI=1S/C18H21NO3.ClH/c1-20-14-6-4-5-13(9-14)18-15-11-17(22-3)16(21-2)10-12(15)7-8-19-18;/h4-6,9-11,18-19H,7-8H2,1-3H3;1H