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

Systemtic Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-p-anisyl-1-phenyl-3,4-dihydroisoquinolin-2-ium Formula: C25H26NO3+ MolecularWeight: 388.47884

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26NO3/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/q+1