1-[(2-bromanyl-5-phenylmethoxy-phenyl)methyl]-6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 1-[(2-bromanyl-5-phenylmethoxy-phenyl)methyl]-6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 5-benzyloxy-1-[(5-benzyloxy-2-bromo-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[(2-bromo-5-phenylmethoxyphenyl)methyl]-6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[(2-bromo-5-phenylmethoxyphenyl)methyl]-6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 5-benzoxy-1-(5-benzoxy-2-bromo-benzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Formula: C32H31BrNO4+ MolecularWeight: 573.49684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CC[NH+]=C(C2=C1)CC3=C(C=CC(=C3)OCC4=CC=CC=C4)Br)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C(=C2CC[NH+]=C(C2=C1)CC3=C(C=CC(=C3)OCC4=CC=CC=C4)Br)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C32H30BrNO4/c1-35-30-19-27-26(31(32(30)36-2)38-21-23-11-7-4-8-12-23)15-16-34-29(27)18-24-17-25(13-14-28(24)33)37-20-22-9-5-3-6-10-22/h3-14,17,19H,15-16,18,20-21H2,1-2H3/p+1