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

Systemtic Name: 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Openeye Name: 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium CAS Name: 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium IUPAC Name: 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Traditional Name: 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Formula: C20H18FN4O2+ MolecularWeight: 365.380923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC=NN3)C4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC=NN3)C4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C20H18FN4O2/c1-12-8-14-9-17(26-2)18(27-3)10-16(14)19(13-4-6-15(21)7-5-13)25(12)20-22-11-23-24-20/h4-11H,1-3H3,(H,22,23,24)/q+1