[(1S)-1-[(2R)-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-2,4-dimethyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])C

InChI

InChI=1S/C12H16N2O2/c1-7(13)9-4-5-11-10(6-9)14(3)12(15)8(2)16-11/h4-8H,13H2,1-3H3/p+1/t7-,8+/m0/s1