1-[1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]propan-2-one iodide

Systemtic Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]propan-2-one iodide Openeye Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]propan-2-one iodide CAS Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-2-isoquinolin-2-iumyl]-2-propanone iodide IUPAC Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]propan-2-one iodide Traditional Name: 1-(1-veratrylisoquinolin-2-ium-2-yl)acetone iodide Formula: C21H22INO3 MolecularWeight: 463.30875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO3.HI/c1-15(23)14-22-11-10-17-6-4-5-7-18(17)19(22)12-16-8-9-20(24-2)21(13-16)25-3;/h4-11,13H,12,14H2,1-3H3;1H/q+1;/p-1