4-[bis(fluoranyl)methyl]-6-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-pyrimidine Formula: C17H21F2N4+ MolecularWeight: 319.372246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F)C

InChI

InChI=1S/C17H20F2N4/c1-11-3-4-13(9-12(11)2)14-10-15(16(18)19)22-17(21-14)23-7-5-20-6-8-23/h3-4,9-10,16,20H,5-8H2,1-2H3/p+1