4-(furan-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-furylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(2-furanylmethyl)-N-[2-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(furan-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-furfuryl)-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Formula: C17H19F3N3O2+ MolecularWeight: 354.34687

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2/c18-17(19,20)14-5-1-2-6-15(14)21-16(24)23-9-7-22(8-10-23)12-13-4-3-11-25-13/h1-6,11H,7-10,12H2,(H,21,24)/p+1