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

Systemtic Name: [(1S)-1-[4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[4-(2-amino-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[4-(2-amino-2-keto-ethyl)-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N)[NH3+]

InChI

InChI=1S/C12H15N3O3/c1-7(13)8-2-3-10-9(4-8)15(5-11(14)16)12(17)6-18-10/h2-4,7H,5-6,13H2,1H3,(H2,14,16)/p+1/t7-/m0/s1