6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-2-p-anisyl-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=C(C3=CC(=C(C=C3CC2)OC)OC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=C(C3=CC(=C(C=C3CC2)OC)OC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H26NO3.ClH/c1-27-21-11-9-18(10-12-21)17-26-14-13-20-15-23(28-2)24(29-3)16-22(20)25(26)19-7-5-4-6-8-19;/h4-12,15-16H,13-14,17H2,1-3H3;1H/q+1;/p-1