4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-furylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(2-furanylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-furfuryl)-N-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

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