N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-1-amine

Systemtic Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-1-amine Openeye Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-1-amine CAS Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-1-amine IUPAC Name: N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-1-amine Traditional Name: (6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-(2,5-dimethylphenyl)amine Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=[NH+]C(CC3=CC(=C(C=C32)OC)OC)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=[NH+]C(CC3=CC(=C(C=C32)OC)OC)(C)C

InChI

InChI=1S/C21H26N2O2/c1-13-7-8-14(2)17(9-13)22-20-16-11-19(25-6)18(24-5)10-15(16)12-21(3,4)23-20/h7-11H,12H2,1-6H3,(H,22,23)/p+1