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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[(1S)-1-(3-keto-4H-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)N2)[NH2+]CC(=O)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CC(=O)N

InChI

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