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

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-(difluoromethyl)-6-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-(difluoromethyl)-6-(3-methoxyphenyl)-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(difluoromethyl)-6-(3-methoxyphenyl)-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-(difluoromethyl)-6-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine Formula: C16H19F2N4O+ MolecularWeight: 321.345066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F

InChI

InChI=1S/C16H18F2N4O/c1-23-12-4-2-3-11(9-12)13-10-14(15(17)18)21-16(20-13)22-7-5-19-6-8-22/h2-4,9-10,15,19H,5-8H2,1H3/p+1