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

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2-fluorophenyl)piperazino]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C21H28FN5O+2 MolecularWeight: 385.478323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3F)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3F)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26FN5O/c22-18-5-1-2-6-19(18)25-13-15-27(16-14-25)21(28)17-24-9-11-26(12-10-24)20-7-3-4-8-23-20/h1-8H,9-17H2/p+2