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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(COC)[NH3+])C

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-9(2)14-15(18)17(3)12-7-10(11(16)8-19-4)5-6-13(12)20-14/h5-7,9,11,14H,8,16H2,1-4H3/p+1/t11-,14+/m0/s1