1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-4-(4-pyridin-1-ium-2-ylpiperazino)butane-1,4-dione Formula: C23H29FN5O2+ MolecularWeight: 426.507063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H28FN5O2/c24-19-4-6-20(7-5-19)26-11-15-28(16-12-26)22(30)8-9-23(31)29-17-13-27(14-18-29)21-3-1-2-10-25-21/h1-7,10H,8-9,11-18H2/p+1