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

Systemtic Name: 3-[(2S)-6-ethanoyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-6-acetyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-6-acetyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-6-acetyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-6-acetyl-3-keto-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2CCC[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-15(24)17-10-11-19-18(14-17)23(13-7-12-22(2)3)21(25)20(26-19)16-8-5-4-6-9-16/h4-6,8-11,14,20H,7,12-13H2,1-3H3/p+1/t20-/m0/s1