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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-3-keto-4-(methoxymethyl)-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-4-13-15(18)17(9-20-3)12-7-10(11(16)8-19-2)5-6-14(12)21-13/h5-7,11,13H,4,8-9,16H2,1-3H3/p+1/t11-,13-/m1/s1