1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C22H31FN5O+3 MolecularWeight: 400.512843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H28FN5O/c23-20-6-2-1-5-19(20)17-25-11-15-28(16-12-25)22(29)18-26-9-13-27(14-10-26)21-7-3-4-8-24-21/h1-8H,9-18H2/p+3