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

Systemtic Name: [(1S)-1-[(2R)-4-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1S)-1-[(2R)-4-(2-amino-2-oxo-ethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-1-[(2R)-4-(2-amino-2-oxoethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-4-(2-amino-2-oxoethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1S)-1-[(2R)-4-(2-amino-2-keto-ethyl)-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-3-12-15(20)18(7-14(17)19)11-6-9(10(16)8-21-2)4-5-13(11)22-12/h4-6,10,12H,3,7-8,16H2,1-2H3,(H2,17,19)/p+1/t10-,12-/m1/s1