1-[(3,4-dimethoxyphenyl)methyl]-2-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 2-benzyl-1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium bromide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 2-benzyl-1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium bromide Traditional Name: 2-benzyl-1-veratryl-isoquinolin-2-ium bromide Formula: C25H24BrNO2 MolecularWeight: 450.36756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC=CC=C32)CC4=CC=CC=C4)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC=CC=C32)CC4=CC=CC=C4)OC.[Br-]

InChI

InChI=1S/C25H24NO2.BrH/c1-27-24-13-12-20(17-25(24)28-2)16-23-22-11-7-6-10-21(22)14-15-26(23)18-19-8-4-3-5-9-19;/h3-15,17H,16,18H2,1-2H3;1H/q+1;/p-1