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

Systemtic Name: 5-(methylamino)-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one Openeye Name: 5-(methylamino)-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one CAS Name: 5-(methylamino)-2-(1-methyl-1-piperidin-1-iumyl)-4-[3-(trifluoromethyl)phenyl]-3-furanone IUPAC Name: 5-(methylamino)-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one Traditional Name: 5-(methylamino)-2-(1-methylpiperidin-1-ium-1-yl)-4-[3-(trifluoromethyl)phenyl]furan-3-one Formula: C18H22F3N2O2+ MolecularWeight: 355.37469

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C(O1)[N+]2(CCCCC2)C)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CNC1=C(C(=O)C(O1)[N+]2(CCCCC2)C)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O2/c1-22-16-14(12-7-6-8-13(11-12)18(19,20)21)15(24)17(25-16)23(2)9-4-3-5-10-23/h6-8,11,17H,3-5,9-10H2,1-2H3/p+1