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

Systemtic Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 7-benzyloxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 7-benzoxy-6-methoxy-2-methyl-1-p-anisyl-3,4-dihydroisoquinolin-2-ium Formula: C26H28NO3+ MolecularWeight: 402.50542

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28NO3/c1-27-14-13-21-16-25(29-3)26(30-18-20-7-5-4-6-8-20)17-23(21)24(27)15-19-9-11-22(28-2)12-10-19/h4-12,16-17H,13-15,18H2,1-3H3/q+1