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

Systemtic Name: [(1R)-1-[4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1R)-1-[4-(2-amino-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1R)-1-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1R)-1-[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1R)-1-[4-(2-amino-2-keto-ethyl)-3-keto-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c1-19-6-9(14)8-2-3-11-10(4-8)16(5-12(15)17)13(18)7-20-11/h2-4,9H,5-7,14H2,1H3,(H2,15,17)/p+1/t9-/m0/s1