[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-(2-furanylmethyl)-methylammonium IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C16H20FN2O2+ MolecularWeight: 291.340603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC=CO2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC=CO2)F

InChI

InChI=1S/C16H19FN2O2/c1-11-6-7-13(9-15(11)17)18-16(20)12(2)19(3)10-14-5-4-8-21-14/h4-9,12H,10H2,1-3H3,(H,18,20)/p+1/t12-/m0/s1