2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-[2-keto-5-(trifluoromethyl)-1-pyridyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C20H24F3N4O2+ MolecularWeight: 409.42537

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)CN2C=C(C=CC2=O)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)CN2C=C(C=CC2=O)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H23F3N4O2/c21-20(22,23)16-6-7-19(29)27(14-16)15-18(28)24-8-9-25-10-12-26(13-11-25)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,24,28)/p+1