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

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfurylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C18H22F3N5O3+2 MolecularWeight: 413.39419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N5O3/c19-18(20,21)13-3-4-15(22-10-13)26-7-5-25(6-8-26)12-16(27)24-17(28)23-11-14-2-1-9-29-14/h1-4,9-10H,5-8,11-12H2,(H2,23,24,27,28)/p+2