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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-3-keto-4H-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(O1)C=CC(=C2)C(CC)[NH3+]

Isomeric SMILES

CC[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)[C@H](CC)[NH3+]

InChI

InChI=1S/C13H18N2O2/c1-3-9(14)8-5-6-12-10(7-8)15-13(16)11(4-2)17-12/h5-7,9,11H,3-4,14H2,1-2H3,(H,15,16)/p+1/t9-,11+/m0/s1