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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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