6,7-dimethoxy-4-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 6,7-dimethoxy-4-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 4-benzyl-6,7-dimethoxy-isoquinolin-2-ium bromide CAS Name: 6,7-dimethoxy-4-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 4-benzyl-6,7-dimethoxyisoquinolin-2-ium bromide Traditional Name: 4-benzyl-6,7-dimethoxy-isoquinolin-2-ium bromide Formula: C18H18BrNO2 MolecularWeight: 360.24502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC=CC=C3)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC=CC=C3)OC.[Br-]

InChI

InChI=1S/C18H17NO2.BrH/c1-20-17-9-15-12-19-11-14(16(15)10-18(17)21-2)8-13-6-4-3-5-7-13;/h3-7,9-12H,8H2,1-2H3;1H