6,7-dimethoxy-3-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium bromide

Systemtic Name: 6,7-dimethoxy-3-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Openeye Name: 3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide CAS Name: 6,7-dimethoxy-3-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium bromide IUPAC Name: 3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Traditional Name: 3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Formula: C18H22BrNO2 MolecularWeight: 364.27678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH2+]C(CC2=C1)CC3=CC=CC=C3)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C[NH2+]C(CC2=C1)CC3=CC=CC=C3)OC.[Br-]

InChI

InChI=1S/C18H21NO2.BrH/c1-20-17-10-14-9-16(8-13-6-4-3-5-7-13)19-12-15(14)11-18(17)21-2;/h3-7,10-11,16,19H,8-9,12H2,1-2H3;1H