1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium Openeye Name: 8-benzyloxy-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium Traditional Name: 8-benzoxy-1-(2-bromo-4,5-dimethoxy-benzyl)-7-methoxy-2-methyl-isoquinolin-2-ium Formula: C27H27BrNO4+ MolecularWeight: 509.41158

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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=C4Br)OC)OC

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=CC(=C(C=C4Br)OC)OC

InChI

InChI=1S/C27H27BrNO4/c1-29-13-12-19-10-11-23(30-2)27(33-17-18-8-6-5-7-9-18)26(19)22(29)14-20-15-24(31-3)25(32-4)16-21(20)28/h5-13,15-16H,14,17H2,1-4H3/q+1