1-(4-fluorophenyl)-4-piperazine-1,4-diium-1-yl-butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-piperazine-1,4-diium-1-yl-butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-piperazine-1,4-diium-1-yl-butan-1-one CAS Name: 1-(4-fluorophenyl)-4-(1-piperazine-1,4-diiumyl)-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-piperazine-1,4-diium-1-ylbutan-1-one Traditional Name: 1-(4-fluorophenyl)-4-piperazine-1,4-diium-1-yl-butan-1-one Formula: C14H21FN2O+2 MolecularWeight: 252.327743

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H19FN2O/c15-13-5-3-12(4-6-13)14(18)2-1-9-17-10-7-16-8-11-17/h3-6,16H,1-2,7-11H2/p+2