methyl 3-chloranyl-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)pyridine-4-carboxylate

Systemtic Name: methyl 3-chloranyl-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)pyridine-4-carboxylate Openeye Name: methyl 3-chloro-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)pyridine-4-carboxylate CAS Name: 3-chloro-2-(1-piperazin-4-iumyl)-5-(trifluoromethyl)-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-chloro-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)pyridine-4-carboxylate Traditional Name: 3-chloro-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)isonicotinic acid methyl ester Formula: C12H14ClF3N3O2+ MolecularWeight: 324.70667

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC=C1C(F)(F)F)N2CC[NH2+]CC2)Cl

Isomeric SMILES

COC(=O)C1=C(C(=NC=C1C(F)(F)F)N2CC[NH2+]CC2)Cl

InChI

InChI=1S/C12H13ClF3N3O2/c1-21-11(20)8-7(12(14,15)16)6-18-10(9(8)13)19-4-2-17-3-5-19/h6,17H,2-5H2,1H3/p+1