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

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H22FN2O+ MolecularWeight: 301.378483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC=CC=C2)F

InChI

InChI=1S/C18H21FN2O/c1-13-9-10-16(11-17(13)19)20-18(22)14(2)21(3)12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1