N-[3,4-bis(fluoranyl)phenyl]-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(3,4-difluorophenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(3,4-difluorophenyl)-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(3,4-difluorophenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C19H23F2N5O2+2 MolecularWeight: 391.415026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H21F2N5O2/c20-15-5-4-14(11-16(15)21)24-18(27)12-23-19(28)13-25-7-9-26(10-8-25)17-3-1-2-6-22-17/h1-6,11H,7-10,12-13H2,(H,23,28)(H,24,27)/p+2