4-(5-cyanopyridin-1-ium-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(5-cyano-2-pyridin-1-iumyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C18H17F3N5O+ MolecularWeight: 376.35569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N5O/c19-18(20,21)14-2-1-3-15(10-14)24-17(27)26-8-6-25(7-9-26)16-5-4-13(11-22)12-23-16/h1-5,10,12H,6-9H2,(H,24,27)/p+1