(2-bromanyl-3,4-dimethoxy-phenyl)-[6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-1-yl]methanone

Systemtic Name: (2-bromanyl-3,4-dimethoxy-phenyl)-[6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-1-yl]methanone Openeye Name: (2-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)-(2-bromo-3,4-dimethoxy-phenyl)methanone CAS Name: (2-bromo-3,4-dimethoxyphenyl)-[6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-1-yl]methanone IUPAC Name: (2-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)-(2-bromo-3,4-dimethoxyphenyl)methanone Traditional Name: (2-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)-(2-bromo-3,4-dimethoxy-phenyl)methanone Formula: C27H27BrNO5+ MolecularWeight: 525.41098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)C2=[N+](CCC3=CC(=C(C=C32)OC)OC)CC4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)C2=[N+](CCC3=CC(=C(C=C32)OC)OC)CC4=CC=CC=C4)Br)OC

InChI

InChI=1S/C27H27BrNO5/c1-31-21-11-10-19(24(28)27(21)34-4)26(30)25-20-15-23(33-3)22(32-2)14-18(20)12-13-29(25)16-17-8-6-5-7-9-17/h5-11,14-15H,12-13,16H2,1-4H3/q+1