4-[bis(fluoranyl)methyl]-6-cyclopropyl-2-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-cyclopropyl-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-cyclopropyl-6-(difluoromethyl)-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-cyclopropyl-6-(difluoromethyl)-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-cyclopropyl-6-(difluoromethyl)-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-cyclopropyl-6-(difluoromethyl)-2-piperazin-4-ium-1-yl-pyrimidine Formula: C12H17F2N4+ MolecularWeight: 255.286986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F

Isomeric SMILES

C1CC1C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F

InChI

InChI=1S/C12H16F2N4/c13-11(14)10-7-9(8-1-2-8)16-12(17-10)18-5-3-15-4-6-18/h7-8,11,15H,1-6H2/p+1