6,7-dimethoxy-1,3-dimethyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-1,3-dimethyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-1,3-dimethyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-1,3-dimethyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1,3-dimethyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-1,3-dimethyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Formula: C15H17N4O2+ MolecularWeight: 285.32108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC=NN3)C)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC=NN3)C)OC)OC

InChI

InChI=1S/C15H17N4O2/c1-9-5-11-6-13(20-3)14(21-4)7-12(11)10(2)19(9)15-16-8-17-18-15/h5-8H,1-4H3,(H,16,17,18)/q+1