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

Systemtic Name: 1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 7-benzyloxy-1-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 7-benzoxy-1-(3-bromo-4,5-dimethoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Formula: C27H29BrNO4+ MolecularWeight: 511.42746

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CC4=CC(=C(C(=C4)Br)OC)OC

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CC4=CC(=C(C(=C4)Br)OC)OC

InChI

InChI=1S/C27H29BrNO4/c1-29-11-10-20-15-24(30-2)25(33-17-18-8-6-5-7-9-18)16-21(20)23(29)13-19-12-22(28)27(32-4)26(14-19)31-3/h5-9,12,14-16H,10-11,13,17H2,1-4H3/q+1