1-(6-methoxypyridazin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(6-methoxypyridazin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(6-methoxypyridazin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(6-methoxy-3-pyridazinyl)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(6-methoxypyridazin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(6-methoxypyridazin-3-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C22H24F3N6O2+ MolecularWeight: 461.46017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4)C(F)(F)F

InChI

InChI=1S/C22H23F3N6O2/c1-33-19-10-9-18(28-29-19)31-20(22(23,24)25)16(13-27-31)21(32)26-14-17(30-11-5-6-12-30)15-7-3-2-4-8-15/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3,(H,26,32)/p+1/t17-/m0/s1