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

Systemtic Name: 2-[(2R)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C17H24ClN2O3+ MolecularWeight: 339.83706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+](C)C

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+](C)C

InChI

InChI=1S/C17H23ClN2O3/c1-11(2)16-17(22)20(8-7-19(3)4)13-9-12(14(21)10-18)5-6-15(13)23-16/h5-6,9,11,16H,7-8,10H2,1-4H3/p+1/t16-/m1/s1