N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H20ClF3N4O+2 MolecularWeight: 400.82581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClF3N4O/c19-15-5-4-13(11-14(15)18(20,21)22)24-17(27)12-25-7-9-26(10-8-25)16-3-1-2-6-23-16/h1-6,11H,7-10,12H2,(H,24,27)/p+2