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

Systemtic Name: (3S,5S)-2-methyl-5-[(3-methylpyridin-1-ium-2-yl)amino]-4-oxidanylidene-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carbonitrile Openeye Name: (3S,5S)-2-methyl-5-[(3-methylpyridin-1-ium-2-yl)amino]-4-oxo-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carbonitrile CAS Name: (3S,5S)-2-methyl-5-[(3-methyl-2-pyridin-1-iumyl)amino]-4-oxo-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carbonitrile IUPAC Name: (3S,5S)-2-methyl-5-[(3-methylpyridin-1-ium-2-yl)amino]-4-oxo-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carbonitrile Traditional Name: (3S,5S)-4-keto-2-methyl-5-[(3-methylpyridin-1-ium-2-yl)amino]-5-(trifluoromethyl)-1-pyrrolin-1-ium-3-carbonitrile Formula: C13H13F3N4O+2 MolecularWeight: 298.26373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([NH+]=CC=C1)N[C@]2(C(=O)[C@@H](C(=[NH+]2)C)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/h3-5,9H,1-2H3,(H,18,20)/p+2/t9-,12-/m1/s1