N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine Traditional Name: [(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amine Formula: C18H19ClF3N6+ MolecularWeight: 411.83187

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=NN3C(=NN=C3C(F)(F)F)C=C2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC2=NN3C(=NN=C3C(F)(F)F)C=C2)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H18ClF3N6/c19-13-6-2-1-5-12(13)14(27-9-3-4-10-27)11-23-15-7-8-16-24-25-17(18(20,21)22)28(16)26-15/h1-2,5-8,14H,3-4,9-11H2,(H,23,26)/p+1/t14-/m0/s1