1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium bromide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium bromide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium bromide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium bromide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-2-[(1S)-1-phenylethyl]-1-veratryl-isoquinolin-2-ium bromide Formula: C28H30BrNO4 MolecularWeight: 524.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2=C(C3=CC(=C(C=C3C=C2)OC)OC)CC4=CC(=C(C=C4)OC)OC.[Br-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[N+]2=C(C3=CC(=C(C=C3C=C2)OC)OC)CC4=CC(=C(C=C4)OC)OC.[Br-]

InChI

InChI=1S/C28H30NO4.BrH/c1-19(21-9-7-6-8-10-21)29-14-13-22-17-27(32-4)28(33-5)18-23(22)24(29)15-20-11-12-25(30-2)26(16-20)31-3;/h6-14,16-19H,15H2,1-5H3;1H/q+1;/p-1/t19-;/m0./s1