1-(4-fluorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea

Systemtic Name: 1-(4-fluorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Openeye Name: 1-(4-fluorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea CAS Name: 1-(4-fluorophenyl)-3-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(4-fluorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Traditional Name: 1-(4-fluorophenyl)-3-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]urea Formula: C18H24FN6O+ MolecularWeight: 359.421163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=C(C=C2)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=C(C=C2)F)C3=NC=CC=N3

InChI

InChI=1S/C18H23FN6O/c19-15-3-5-16(6-4-15)23-18(26)22-9-2-10-24-11-13-25(14-12-24)17-20-7-1-8-21-17/h1,3-8H,2,9-14H2,(H2,22,23,26)/p+1