2-thiophen-2-yl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-thiophen-2-yl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(2-thienyl)-4-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-thiophen-2-yl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-thiophen-2-yl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(2-thienyl)-4-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]thiazole Formula: C18H18F3N4S2+ MolecularWeight: 411.48753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H17F3N4S2/c19-18(20,21)13-3-4-16(22-10-13)25-7-5-24(6-8-25)11-14-12-27-17(23-14)15-2-1-9-26-15/h1-4,9-10,12H,5-8,11H2/p+1