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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2-methyl-6,7-bis(phenylmethoxy)-3,4-dihydroisoquinolin-2-ium Openeye Name: 6,7-dibenzyloxy-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-6,7-bis(phenylmethoxy)-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-6,7-bis(phenylmethoxy)-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dibenzoxy-1-(3-benzoxy-4-methoxy-benzyl)-2-methyl-3,4-dihydroisoquinolin-2-ium Formula: C39H38NO4+ MolecularWeight: 584.72332

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC(=C(C=C5)OC)OCC6=CC=CC=C6

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC(=C(C=C5)OC)OCC6=CC=CC=C6

InChI

InChI=1S/C39H38NO4/c1-40-21-20-33-24-38(43-27-30-14-8-4-9-15-30)39(44-28-31-16-10-5-11-17-31)25-34(33)35(40)22-32-18-19-36(41-2)37(23-32)42-26-29-12-6-3-7-13-29/h3-19,23-25H,20-22,26-28H2,1-2H3/q+1