N-(4-fluorophenyl)-2-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]piperazin-4-ium-1-yl]acetamide Formula: C23H31FN6O2+2 MolecularWeight: 442.529643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN6O2/c24-19-4-6-20(7-5-19)26-22(31)17-27-9-11-28(12-10-27)18-23(32)30-15-13-29(14-16-30)21-3-1-2-8-25-21/h1-8H,9-18H2,(H,26,31)/p+2