1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium Openeye Name: 8-benzyloxy-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium Traditional Name: 8-benzoxy-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium Formula: C26H23BrNO4+ MolecularWeight: 493.36912

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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=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C26H23BrNO4/c1-28-11-10-18-8-9-22(29-2)26(30-15-17-6-4-3-5-7-17)25(18)21(28)12-19-13-23-24(14-20(19)27)32-16-31-23/h3-11,13-14H,12,15-16H2,1-2H3/q+1