1-[3-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)phenyl]ethanone chloride

Systemtic Name: 1-[3-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)phenyl]ethanone chloride Openeye Name: 1-[3-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)phenyl]ethanone chloride CAS Name: 1-[3-(6,7-dimethoxy-1,2-dimethyl-3-isoquinolin-2-iumyl)phenyl]ethanone chloride IUPAC Name: 1-[3-(6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium-3-yl)phenyl]ethanone chloride Traditional Name: 1-[3-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)phenyl]ethanone chloride Formula: C21H22ClNO3 MolecularWeight: 371.85728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=CC=C3)C(=O)C)C.[Cl-]

Isomeric SMILES

CC1=[N+](C(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=CC=C3)C(=O)C)C.[Cl-]

InChI

InChI=1S/C21H22NO3.ClH/c1-13-18-12-21(25-5)20(24-4)11-17(18)10-19(22(13)3)16-8-6-7-15(9-16)14(2)23;/h6-12H,1-5H3;1H/q+1;/p-1