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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 7-benzyloxy-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 7-benzoxy-1-(2-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=C4Br)OC)OC

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CC4=CC(=C(C=C4Br)OC)OC

InChI

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