(4S)-2-methyl-5-oxidanylidene-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

Systemtic Name: (4S)-2-methyl-5-oxidanylidene-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Openeye Name: (4S)-2-methyl-5-oxo-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS Name: (4S)-2-methyl-5-oxo-4-(2-pyridin-1-iumylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile IUPAC Name: (4S)-2-methyl-5-oxo-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Traditional Name: (4S)-5-keto-2-methyl-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-2-pyrroline-3-carbonitrile Formula: C12H10F3N4O+ MolecularWeight: 283.22921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=CC=CC=[NH+]2)C#N

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC2=CC=CC=[NH+]2)C#N

InChI

InChI=1S/C12H9F3N4O/c1-7-8(6-16)11(10(20)18-7,12(13,14)15)19-9-4-2-3-5-17-9/h2-5H,1H3,(H,17,19)(H,18,20)/p+1/t11-/m0/s1