4-[[6,7-dimethoxy-2-methyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol bromide

Systemtic Name: 4-[[6,7-dimethoxy-2-methyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol bromide Openeye Name: 4-[(2-benzyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenol bromide CAS Name: 4-[[6,7-dimethoxy-2-methyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol bromide IUPAC Name: 4-[(2-benzyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenol bromide Traditional Name: 4-[(2-benzyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenol bromide Formula: C26H30BrNO3 MolecularWeight: 484.4253

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H29NO3.BrH/c1-27(18-20-7-5-4-6-8-20)14-13-21-16-25(29-2)26(30-3)17-23(21)24(27)15-19-9-11-22(28)12-10-19;/h4-12,16-17,24H,13-15,18H2,1-3H3;1H