1-(5-fluoranyl-2-methyl-4-piperazin-4-ium-1-yl-phenyl)butan-1-one

Systemtic Name: 1-(5-fluoranyl-2-methyl-4-piperazin-4-ium-1-yl-phenyl)butan-1-one Openeye Name: 1-(5-fluoro-2-methyl-4-piperazin-4-ium-1-yl-phenyl)butan-1-one CAS Name: 1-[5-fluoro-2-methyl-4-(1-piperazin-4-iumyl)phenyl]-1-butanone IUPAC Name: 1-(5-fluoro-2-methyl-4-piperazin-4-ium-1-ylphenyl)butan-1-one Traditional Name: 1-(5-fluoro-2-methyl-4-piperazin-4-ium-1-yl-phenyl)butan-1-one Formula: C15H22FN2O+ MolecularWeight: 265.346383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1C)N2CC[NH2+]CC2)F

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1C)N2CC[NH2+]CC2)F

InChI

InChI=1S/C15H21FN2O/c1-3-4-15(19)12-10-13(16)14(9-11(12)2)18-7-5-17-6-8-18/h9-10,17H,3-8H2,1-2H3/p+1