(3R,5R)-2-methylidene-5-[(3-methylpyridin-2-yl)amino]-4-oxidanylidene-5-(trifluoromethyl)pyrrolidin-1-ium-3-carbonitrile

Systemtic Name: (3R,5R)-2-methylidene-5-[(3-methylpyridin-2-yl)amino]-4-oxidanylidene-5-(trifluoromethyl)pyrrolidin-1-ium-3-carbonitrile Openeye Name: (3R,5R)-2-methylene-5-[(3-methyl-2-pyridyl)amino]-4-oxo-5-(trifluoromethyl)pyrrolidin-1-ium-3-carbonitrile CAS Name: (3R,5R)-2-methylene-5-[(3-methyl-2-pyridinyl)amino]-4-oxo-5-(trifluoromethyl)-3-pyrrolidin-1-iumcarbonitrile IUPAC Name: (3R,5R)-2-methylidene-5-[(3-methylpyridin-2-yl)amino]-4-oxo-5-(trifluoromethyl)pyrrolidin-1-ium-3-carbonitrile Traditional Name: (3R,5R)-4-keto-2-methylene-5-[(3-methyl-2-pyridyl)amino]-5-(trifluoromethyl)pyrrolidin-1-ium-3-carbonitrile Formula: C13H12F3N4O+ MolecularWeight: 297.25579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2(C(=O)C(C(=C)[NH2+]2)C#N)C(F)(F)F

Isomeric SMILES

CC1=C(N=CC=C1)N[C@@]2(C(=O)[C@H](C(=C)[NH2+]2)C#N)C(F)(F)F

InChI

InChI=1S/C13H11F3N4O/c1-7-4-3-5-18-11(7)20-12(13(14,15)16)10(21)9(6-17)8(2)19-12/h3-5,9,19H,2H2,1H3,(H,18,20)/p+1/t9-,12-/m0/s1