[(2S)-3,3-dimethyl-1-(3-oxidanylidene-1,4-benzoxazin-4-yl)butan-2-yl]azanium

Systemtic Name: [(2S)-3,3-dimethyl-1-(3-oxidanylidene-1,4-benzoxazin-4-yl)butan-2-yl]azanium Openeye Name: [(1S)-2,2-dimethyl-1-[(3-oxo-1,4-benzoxazin-4-yl)methyl]propyl]ammonium CAS Name: [(2S)-3,3-dimethyl-1-(3-oxo-1,4-benzoxazin-4-yl)butan-2-yl]ammonium IUPAC Name: [(2S)-3,3-dimethyl-1-(3-oxo-1,4-benzoxazin-4-yl)butan-2-yl]azanium Traditional Name: [(1S)-1-[(3-keto-1,4-benzoxazin-4-yl)methyl]-2,2-dimethyl-propyl]ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C(=O)COC2=CC=CC=C21)[NH3+]

Isomeric SMILES

CC(C)(C)[C@@H](CN1C(=O)COC2=CC=CC=C21)[NH3+]

InChI

InChI=1S/C14H20N2O2/c1-14(2,3)12(15)8-16-10-6-4-5-7-11(10)18-9-13(16)17/h4-7,12H,8-9,15H2,1-3H3/p+1/t12-/m1/s1