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

Systemtic Name: 3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-(phenylmethyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-benzyl-3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N-(phenylmethyl)-1H-1,2,4-triazol-5-amine IUPAC Name: N-benzyl-3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-amine Traditional Name: benzyl-[3-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-yl]amine Formula: C27H25FN5O2+ MolecularWeight: 470.518103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NCC4=CC=CC=C4)C5=CC=C(C=C5)F)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NCC4=CC=CC=C4)C5=CC=C(C=C5)F)OC)OC

InChI

InChI=1S/C27H25FN5O2/c1-17-13-20-14-23(34-2)24(35-3)15-22(20)25(19-9-11-21(28)12-10-19)33(17)27-30-26(31-32-27)29-16-18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H2,29,30,31,32)/q+1