8,9-dimethoxy-5-methyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-[1,2,4]triazolo[4,3-c]quinazoline

Systemtic Name: 8,9-dimethoxy-5-methyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-[1,2,4]triazolo[4,3-c]quinazoline Openeye Name: 8,9-dimethoxy-5-methyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-[1,2,4]triazolo[4,3-c]quinazoline CAS Name: 8,9-dimethoxy-5-methyl-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-[1,2,4]triazolo[4,3-c]quinazoline IUPAC Name: 8,9-dimethoxy-5-methyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-[1,2,4]triazolo[4,3-c]quinazoline Traditional Name: 8,9-dimethoxy-5-methyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-[1,2,4]triazolo[4,3-c]quinazoline Formula: C24H26F3N6O2+ MolecularWeight: 487.49745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C3=NN=C(N13)C[NH+]4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)OC)OC

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C3=NN=C(N13)C[NH+]4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)OC)OC

InChI

InChI=1S/C24H25F3N6O2/c1-15-28-19-13-21(35-3)20(34-2)12-18(19)23-30-29-22(33(15)23)14-31-7-9-32(10-8-31)17-6-4-5-16(11-17)24(25,26)27/h4-6,11-13H,7-10,14H2,1-3H3/p+1