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

Systemtic Name: 2-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[6-[(2S)-2-chloropropanoyl]-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C15H20ClN2O3+ MolecularWeight: 311.7839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC[NH+](C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC[NH+](C)C)Cl

InChI

InChI=1S/C15H19ClN2O3/c1-10(16)15(20)11-4-5-13-12(8-11)18(7-6-17(2)3)14(19)9-21-13/h4-5,8,10H,6-7,9H2,1-3H3/p+1/t10-/m0/s1