5-phenyl-3-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: 5-phenyl-3-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: 5-phenyl-3-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]ethyl]amino]-5-phenyl-2-thiophenecarboxylate IUPAC Name: 5-phenyl-3-[[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetyl]amino]-2-thenoate Formula: C23H21F3N4O3S MolecularWeight: 490.49805

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)[O-])C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)[O-])C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O3S/c24-23(25,26)16-6-7-19(27-13-16)30-10-8-29(9-11-30)14-20(31)28-17-12-18(34-21(17)22(32)33)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,28,31)(H,32,33)