2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine Formula: C20H20F3N4S+ MolecularWeight: 405.45981

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C20H19F3N4S/c21-20(22,23)18-13-16(17-7-4-12-28-17)24-19(25-18)27-10-8-26(9-11-27)14-15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2/p+1