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

Systemtic Name: 2-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C21H19F3N5S+ MolecularWeight: 430.46927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C21H18F3N5S/c22-21(23,24)20-26-15-6-2-1-5-14(15)19(27-20)29-11-9-28(10-12-29)13-18-25-16-7-3-4-8-17(16)30-18/h1-8H,9-13H2/p+1