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

Systemtic Name: [(1S)-1-[(2R)-2,4-diethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2,4-diethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2,4-diethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2,4-diethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1S)-1-[(2R)-2,4-diethyl-3-keto-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-4-13-15(18)17(5-2)12-8-10(11(16)9-19-3)6-7-14(12)20-13/h6-8,11,13H,4-5,9,16H2,1-3H3/p+1/t11-,13-/m1/s1