N-[4-bromanyl-2-(trifluoromethyl)phenyl]-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[4-bromanyl-2-(trifluoromethyl)phenyl]-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-5-(1-piperidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-5-(piperidin-1-ium-1-ylmethyl)-2-furamide Formula: C18H19BrF3N2O2+ MolecularWeight: 432.25487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(O2)C(=O)NC3=C(C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(O2)C(=O)NC3=C(C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C18H18BrF3N2O2/c19-12-4-6-15(14(10-12)18(20,21)22)23-17(25)16-7-5-13(26-16)11-24-8-2-1-3-9-24/h4-7,10H,1-3,8-9,11H2,(H,23,25)/p+1