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

Systemtic Name: 2-[(2R)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-11(2)16-17(21)19(9-8-18(4)5)14-10-13(12(3)20)6-7-15(14)22-16/h6-7,10-11,16H,8-9H2,1-5H3/p+1/t16-/m1/s1