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

Systemtic Name: 4-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine CAS Name: 4-(4-ethylphenyl)-2-(1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Formula: C17H20F3N4+ MolecularWeight: 337.36271

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4/c1-2-12-3-5-13(6-4-12)14-11-15(17(18,19)20)23-16(22-14)24-9-7-21-8-10-24/h3-6,11,21H,2,7-10H2,1H3/p+1