4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(methylthio)pyrimidine Formula: C22H23F2N4S+ MolecularWeight: 413.506626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=NC=CC(=N1)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22F2N4S/c1-29-22-25-11-10-20(26-22)27-12-14-28(15-13-27)21(16-2-6-18(23)7-3-16)17-4-8-19(24)9-5-17/h2-11,21H,12-15H2,1H3/p+1