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

Systemtic Name: 2-[(2R)-6-[(2S)-2-chloranylpropanoyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-6-[(2S)-2-chloro-1-oxopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C16H22ClN2O3+ MolecularWeight: 325.81048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O3/c1-10(17)15(20)12-5-6-14-13(9-12)19(8-7-18(3)4)16(21)11(2)22-14/h5-6,9-11H,7-8H2,1-4H3/p+1/t10-,11+/m0/s1