1-(3-fluoranyl-4-piperazin-4-ium-1-yl-phenyl)propan-1-one

Systemtic Name: 1-(3-fluoranyl-4-piperazin-4-ium-1-yl-phenyl)propan-1-one Openeye Name: 1-(3-fluoro-4-piperazin-4-ium-1-yl-phenyl)propan-1-one CAS Name: 1-[3-fluoro-4-(1-piperazin-4-iumyl)phenyl]-1-propanone IUPAC Name: 1-(3-fluoro-4-piperazin-4-ium-1-ylphenyl)propan-1-one Traditional Name: 1-(3-fluoro-4-piperazin-4-ium-1-yl-phenyl)propan-1-one Formula: C13H18FN2O+ MolecularWeight: 237.293223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)F

InChI

InChI=1S/C13H17FN2O/c1-2-13(17)10-3-4-12(11(14)9-10)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8H2,1H3/p+1