N-(furan-2-ylmethyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C17H21F3N4O2+2 MolecularWeight: 370.36945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-4-15(21-10-13)24-7-5-23(6-8-24)12-16(25)22-11-14-2-1-9-26-14/h1-4,9-10H,5-8,11-12H2,(H,22,25)/p+2