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4-[4-(5-fluoranylpyrimidin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium-1-yl]butanal

4-[4-(5-fluoranylpyrimidin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium-1-yl]butanal

Systemtic Name:4-[4-(5-fluoranylpyrimidin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium-1-yl]butanal
Openeye Name:4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butanal
CAS Name:4-[1-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazin-1-iumyl]butanal
IUPAC Name:4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butanal
Traditional Name:4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butyraldehyde
Formula: C18H21F2N4O+
MolecularWeight: 347.382346
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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=NC=C(C=N2)F)(CCCC=O)C3=CC=C(C=C3)F


Isomeric SMILES

C1C[N+](CCN1C2=NC=C(C=N2)F)(CCCC=O)C3=CC=C(C=C3)F


InChI

InChI=1S/C18H21F2N4O/c19-15-3-5-17(6-4-15)24(9-1-2-12-25)10-7-23(8-11-24)18-21-13-16(20)14-22-18/h3-6,12-14H,1-2,7-11H2/q+1


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