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

Systemtic Name: 2-thiophen-3-yl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(3-thienyl)-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(3-thiophenyl)-4-[[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-thiophen-3-yl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(3-thienyl)-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]thiazole Formula: C21H19F3N5S2+ MolecularWeight: 462.53427

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C21H18F3N5S2/c22-21(23,24)20-26-17-4-2-1-3-16(17)18(27-20)29-8-6-28(7-9-29)11-15-13-31-19(25-15)14-5-10-30-12-14/h1-5,10,12-13H,6-9,11H2/p+1