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

Systemtic Name: 1-[(2-bromanyl-3,4-dimethoxy-phenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium Openeye Name: 8-benzyloxy-1-[(2-bromo-3,4-dimethoxy-phenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium CAS Name: 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium IUPAC Name: 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium Traditional Name: 8-benzoxy-1-(2-bromo-3,4-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=C(C(=C(C=C4)OC)OC)Br

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=C(C(=C(C=C4)OC)OC)Br

InChI

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