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

Systemtic Name: [(1R)-1-[(2R)-4-(2-hydroxyethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1R)-1-[(2R)-4-(2-hydroxyethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1R)-1-[(2R)-4-(2-hydroxyethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1R)-1-[(2R)-4-(2-hydroxyethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1R)-1-[(2R)-4-(2-hydroxyethyl)-3-keto-2-methyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C14H21N2O4+ MolecularWeight: 281.32754

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(COC)[NH3+])CCO

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-9-14(18)16(5-6-17)12-7-10(11(15)8-19-2)3-4-13(12)20-9/h3-4,7,9,11,17H,5-6,8,15H2,1-2H3/p+1/t9-,11+/m1/s1