N-(4-fluorophenyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(4-fluorophenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(4-fluorophenyl)-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(4-fluorophenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(4-fluorophenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C24H26FN5O2+2 MolecularWeight: 435.493943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H24FN5O2/c25-18-8-10-19(11-9-18)27-24(32)20-5-1-2-6-21(20)28-23(31)17-29-13-15-30(16-14-29)22-7-3-4-12-26-22/h1-12H,13-17H2,(H,27,32)(H,28,31)/p+2