1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-5-bromanyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol

Systemtic Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-5-bromanyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Openeye Name: 5-bromo-1-[(3,4-dibenzyloxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol CAS Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-5-bromo-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol IUPAC Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-5-bromo-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Traditional Name: 5-bromo-1-(3,4-dibenzoxybenzyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Formula: C31H31BrNO4+ MolecularWeight: 561.48614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CC[NH2+]C(C2=C1O)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)Br

Isomeric SMILES

COC1=CC(=C2CC[NH2+]C(C2=C1O)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)Br

InChI

InChI=1S/C31H30BrNO4/c1-35-29-18-25(32)24-14-15-33-26(30(24)31(29)34)16-23-12-13-27(36-19-21-8-4-2-5-9-21)28(17-23)37-20-22-10-6-3-7-11-22/h2-13,17-18,26,33-34H,14-16,19-20H2,1H3/p+1