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

Systemtic Name: (4S)-2-methyl-4-[(5-methylpyridin-1-ium-2-yl)amino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Openeye Name: (4S)-2-methyl-4-[(5-methylpyridin-1-ium-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS Name: (4S)-2-methyl-4-[(5-methyl-2-pyridin-1-iumyl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile IUPAC Name: (4S)-2-methyl-4-[(5-methylpyridin-1-ium-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Traditional Name: (4S)-5-keto-2-methyl-4-[(5-methylpyridin-1-ium-2-yl)amino]-4-(trifluoromethyl)-2-pyrroline-3-carbonitrile Formula: C13H12F3N4O+ MolecularWeight: 297.25579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N4O/c1-7-3-4-10(18-6-7)20-12(13(14,15)16)9(5-17)8(2)19-11(12)21/h3-4,6H,1-2H3,(H,18,20)(H,19,21)/p+1/t12-/m0/s1