3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C26H23FN5O2+ MolecularWeight: 456.491523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NC4=CC=CC=C4)C5=CC=C(C=C5)F)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NC4=CC=CC=C4)C5=CC=C(C=C5)F)OC)OC

InChI

InChI=1S/C26H23FN5O2/c1-16-13-18-14-22(33-2)23(34-3)15-21(18)24(17-9-11-19(27)12-10-17)32(16)26-29-25(30-31-26)28-20-7-5-4-6-8-20/h4-15H,1-3H3,(H2,28,29,30,31)/q+1