4-(5-methylthiophen-2-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(5-methylthiophen-2-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(5-methyl-2-thienyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine CAS Name: 4-(5-methyl-2-thiophenyl)-2-(1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(5-methylthiophen-2-yl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(5-methyl-2-thienyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Formula: C14H16F3N4S+ MolecularWeight: 329.36385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C14H15F3N4S/c1-9-2-3-11(22-9)10-8-12(14(15,16)17)20-13(19-10)21-6-4-18-5-7-21/h2-3,8,18H,4-7H2,1H3/p+1