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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN2O/c1-13(2)10-16(20)19-8-6-18(7-9-19)12-14-4-3-5-15(17)11-14/h3-5,11,13H,6-10,12H2,1-2H3/p+1