6,7-dimethoxy-2-methyl-1-(phenylmethyl)isoquinolin-2-ium iodide

Systemtic Name: 6,7-dimethoxy-2-methyl-1-(phenylmethyl)isoquinolin-2-ium iodide Openeye Name: 1-benzyl-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide CAS Name: 6,7-dimethoxy-2-methyl-1-(phenylmethyl)isoquinolin-2-ium iodide IUPAC Name: 1-benzyl-6,7-dimethoxy-2-methylisoquinolin-2-ium iodide Traditional Name: 1-benzyl-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide Formula: C19H20INO2 MolecularWeight: 421.27207

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H20NO2.HI/c1-20-10-9-15-12-18(21-2)19(22-3)13-16(15)17(20)11-14-7-5-4-6-8-14;/h4-10,12-13H,11H2,1-3H3;1H/q+1;/p-1