1-(4-fluorophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-fluorophenyl)butane-1,4-dione CAS Name: 1-(4-fluorophenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-fluorophenyl)butane-1,4-dione Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-fluorophenyl)butane-1,4-dione Formula: C21H24FN2O2+ MolecularWeight: 355.425863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O2/c22-19-8-6-18(7-9-19)20(25)10-11-21(26)24-14-12-23(13-15-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2/p+1