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

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine Formula: C17H21F2N4O2+ MolecularWeight: 351.371046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F2N4O2/c1-24-14-4-3-11(9-15(14)25-2)12-10-13(16(18)19)22-17(21-12)23-7-5-20-6-8-23/h3-4,9-10,16,20H,5-8H2,1-2H3/p+1