1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentan-1-one

Systemtic Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentan-1-one Openeye Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentan-1-one CAS Name: 1-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-pentanone IUPAC Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentan-1-one Traditional Name: 1-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]pentan-1-one Formula: C16H24FN2O+ MolecularWeight: 279.372963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)F

Isomeric SMILES

CCCCC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H23FN2O/c1-2-3-7-16(20)19-10-8-18(9-11-19)13-14-5-4-6-15(17)12-14/h4-6,12H,2-3,7-11,13H2,1H3/p+1