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

Systemtic Name: methyl (4S)-2-methyl-5-oxidanylidene-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-5-oxo-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(2-pyridin-1-iumylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-5-oxo-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C13H13F3N3O3+ MolecularWeight: 316.25583

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N3O3/c1-7-9(10(20)22-2)12(11(21)18-7,13(14,15)16)19-8-5-3-4-6-17-8/h3-6H,1-2H3,(H,17,19)(H,18,21)/p+1/t12-/m0/s1