3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrrole-2,5-dione

Systemtic Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrrole-2,5-dione Openeye Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrrole-2,5-dione CAS Name: 3-(4-cyclohexyl-1-piperazin-4-iumyl)-1-(4-fluorophenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)-3-pyrroline-2,5-quinone Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=CC(=O)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=CC(=O)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H24FN3O2/c21-15-6-8-17(9-7-15)24-19(25)14-18(20(24)26)23-12-10-22(11-13-23)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2/p+1