3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C17H29FN4O+2 MolecularWeight: 324.436763

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC(=O)N1CCN(CC1)C2=CC=CC=C2F

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC(=O)N1CCN(CC1)C2=CC=CC=C2F

InChI

InChI=1S/C17H27FN4O/c1-20(2)9-5-8-19-14-17(23)22-12-10-21(11-13-22)16-7-4-3-6-15(16)18/h3-4,6-7,19H,5,8-14H2,1-2H3/p+2