7,8-dimethoxy-2-methyl-4-phenyl-isoquinolin-2-ium perchlorate

Systemtic Name: 7,8-dimethoxy-2-methyl-4-phenyl-isoquinolin-2-ium perchlorate Openeye Name: 7,8-dimethoxy-2-methyl-4-phenyl-isoquinolin-2-ium perchlorate CAS Name: 7,8-dimethoxy-2-methyl-4-phenylisoquinolin-2-ium perchlorate IUPAC Name: 7,8-dimethoxy-2-methyl-4-phenylisoquinolin-2-ium perchlorate Traditional Name: 7,8-dimethoxy-2-methyl-4-phenyl-isoquinolin-2-ium perchlorate Formula: C18H18ClNO6 MolecularWeight: 379.79162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO2.ClHO4/c1-19-11-15(13-7-5-4-6-8-13)14-9-10-17(20-2)18(21-3)16(14)12-19;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)/q+1;/p-1