N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H20ClFN4O+2 MolecularWeight: 350.818303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN4O/c18-14-11-13(4-5-15(14)19)21-17(24)12-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24)/p+2