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

Systemtic Name: 2-[(2S)-6-ethanoyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-6-acetyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-6-acetyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-6-acetyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-6-acetyl-3-keto-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2CC[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-14(23)16-9-10-18-17(13-16)22(12-11-21(2)3)20(24)19(25-18)15-7-5-4-6-8-15/h4-10,13,19H,11-12H2,1-3H3/p+1/t19-/m0/s1