2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C18H20F3N5O3+2 MolecularWeight: 411.37831

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N5O3/c19-18(20,21)13-4-1-2-5-14(13)23-16(27)12-24-8-10-25(11-9-24)17-15(26(28)29)6-3-7-22-17/h1-7H,8-12H2,(H,23,27)/p+2