3-[(2R)-6-[(2S)-2-chloranylpropanoyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-6-[(2S)-2-chloranylpropanoyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-6-[(2S)-2-chloro-1-oxopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C17H24ClN2O3+ MolecularWeight: 339.83706

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C(C)Cl)CCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O3/c1-11(18)16(21)13-6-7-15-14(10-13)20(9-5-8-19(3)4)17(22)12(2)23-15/h6-7,10-12H,5,8-9H2,1-4H3/p+1/t11-,12+/m0/s1