4-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxamide Openeye Name: 4-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide CAS Name: 4-(5-nitro-2-pyridin-1-iumyl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide Traditional Name: 4-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide Formula: C17H17F3N5O4+ MolecularWeight: 412.34319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C17H16F3N5O4/c18-17(19,20)29-14-4-1-12(2-5-14)22-16(26)24-9-7-23(8-10-24)15-6-3-13(11-21-15)25(27)28/h1-6,11H,7-10H2,(H,22,26)/p+1