5-azanyl-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one

Systemtic Name: 5-azanyl-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one Openeye Name: 5-amino-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one CAS Name: 5-amino-2-(1-methyl-1-piperidin-1-iumyl)-4-[3-(trifluoromethyl)phenyl]-3-furanone IUPAC Name: 5-amino-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one Traditional Name: 5-amino-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one Formula: C17H20F3N2O2+ MolecularWeight: 341.34811

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C2C(=O)C(=C(O2)N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C[N+]1(CCCCC1)C2C(=O)C(=C(O2)N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N2O2/c1-22(8-3-2-4-9-22)16-14(23)13(15(21)24-16)11-6-5-7-12(10-11)17(18,19)20/h5-7,10,16H,2-4,8-9H2,1H3,(H-,21,23)/p+1