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

Systemtic Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 1-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]butan-1-one Formula: C15H22FN2O+ MolecularWeight: 265.346383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN2O/c1-2-4-15(19)18-9-7-17(8-10-18)12-13-5-3-6-14(16)11-13/h3,5-6,11H,2,4,7-10,12H2,1H3/p+1