(4S)-4-[(5-chloranylpyridin-1-ium-2-yl)amino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

Systemtic Name: (4S)-4-[(5-chloranylpyridin-1-ium-2-yl)amino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Openeye Name: (4S)-4-[(5-chloropyridin-1-ium-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS Name: (4S)-4-[(5-chloro-2-pyridin-1-iumyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile IUPAC Name: (4S)-4-[(5-chloropyridin-1-ium-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Traditional Name: (4S)-4-[(5-chloropyridin-1-ium-2-yl)amino]-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carbonitrile Formula: C12H9ClF3N4O+ MolecularWeight: 317.67427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=[NH+]C=C(C=C2)Cl)C#N

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC2=[NH+]C=C(C=C2)Cl)C#N

InChI

InChI=1S/C12H8ClF3N4O/c1-6-8(4-17)11(10(21)19-6,12(14,15)16)20-9-3-2-7(13)5-18-9/h2-3,5H,1H3,(H,18,20)(H,19,21)/p+1/t11-/m0/s1