N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(6-imidazol-1-yl-3-pyridyl)methyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[[6-(1-imidazolyl)-3-pyridinyl]methyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(6-imidazol-1-yl-3-pyridyl)methyl]-4-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-4-ium-1-carboxamide Formula: C23H25F3N7O2+ MolecularWeight: 488.48551

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CN=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)NCC3=CN=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C23H24F3N7O2/c24-23(25,26)18-3-1-2-4-19(18)30-21(34)15-31-9-11-32(12-10-31)22(35)29-14-17-5-6-20(28-13-17)33-8-7-27-16-33/h1-8,13,16H,9-12,14-15H2,(H,29,35)(H,30,34)/p+1