[(2S)-7-methyl-3-oxidanylidene-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-7-methyl-3-oxidanylidene-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl]ammonium CAS Name: [(2S)-7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl]azanium Traditional Name: benzyl-[(2S)-3-keto-7-methyl-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl]ammonium Formula: C17H16F3N2O2+ MolecularWeight: 337.31635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(O2)(C(F)(F)F)[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)[C@](O2)(C(F)(F)F)[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C17H15F3N2O2/c1-11-7-8-13-14(9-11)24-16(15(23)22-13,17(18,19)20)21-10-12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,22,23)/p+1/t16-/m0/s1