4-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(3-pyridylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(3-pyridinylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(3-pyridylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Formula: C18H20F3N4O+ MolecularWeight: 365.37281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O/c19-18(20,21)15-4-1-5-16(11-15)23-17(26)25-9-7-24(8-10-25)13-14-3-2-6-22-12-14/h1-6,11-12H,7-10,13H2,(H,23,26)/p+1