5-ethyl-4-methyl-6-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine

Systemtic Name: 5-ethyl-4-methyl-6-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 5-ethyl-4-methyl-6-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine CAS Name: 5-ethyl-4-methyl-6-(1-piperazin-4-iumyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 5-ethyl-4-methyl-6-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 5-ethyl-4-methyl-6-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine Formula: C18H22F3N4+ MolecularWeight: 351.38929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CC[NH2+]CC2)C3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CC[NH2+]CC2)C3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C18H21F3N4/c1-3-15-12(2)23-16(24-17(15)25-9-7-22-8-10-25)13-5-4-6-14(11-13)18(19,20)21/h4-6,11,22H,3,7-10H2,1-2H3/p+1