4-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(4-chlorophenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-(trifluoromethyl)pyrimidine Formula: C17H19ClF3N4+ MolecularWeight: 371.80777

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClF3N4/c1-2-24-7-9-25(10-8-24)16-22-14(11-15(23-16)17(19,20)21)12-3-5-13(18)6-4-12/h3-6,11H,2,7-10H2,1H3/p+1