1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium

Systemtic Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium Openeye Name: 8-benzyloxy-1-[(3,4-dibenzyloxyphenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium CAS Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium IUPAC Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium Traditional Name: 8-benzoxy-1-(3,4-dibenzoxybenzyl)-7-methoxy-2-methyl-isoquinolin-2-ium Formula: C39H36NO4+ MolecularWeight: 582.70744

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C39H36NO4/c1-40-23-22-33-19-21-36(41-2)39(44-28-31-16-10-5-11-17-31)38(33)34(40)24-32-18-20-35(42-26-29-12-6-3-7-13-29)37(25-32)43-27-30-14-8-4-9-15-30/h3-23,25H,24,26-28H2,1-2H3/q+1