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

Systemtic Name: methyl (4S)-4-[(5-chloranylpyridin-1-ium-2-yl)amino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-[(5-chloropyridin-1-ium-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-4-[(5-chloro-2-pyridin-1-iumyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[(5-chloropyridin-1-ium-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-4-[(5-chloropyridin-1-ium-2-yl)amino]-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C13H12ClF3N3O3+ MolecularWeight: 350.70089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClF3N3O3/c1-6-9(10(21)23-2)12(11(22)19-6,13(15,16)17)20-8-4-3-7(14)5-18-8/h3-5H,1-2H3,(H,18,20)(H,19,22)/p+1/t12-/m0/s1