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

Systemtic Name: dimethyl-[2-[(2R)-3-oxidanylidene-2-phenyl-6-propanoyl-1,4-benzoxazin-4-yl]ethyl]azanium Openeye Name: dimethyl-[2-[(2R)-3-oxo-2-phenyl-6-propanoyl-1,4-benzoxazin-4-yl]ethyl]ammonium CAS Name: dimethyl-[2-[(2R)-3-oxo-6-(1-oxopropyl)-2-phenyl-1,4-benzoxazin-4-yl]ethyl]ammonium IUPAC Name: dimethyl-[2-[(2R)-3-oxo-2-phenyl-6-propanoyl-1,4-benzoxazin-4-yl]ethyl]azanium Traditional Name: 2-[(2R)-3-keto-2-phenyl-6-propionyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-4-18(24)16-10-11-19-17(14-16)23(13-12-22(2)3)21(25)20(26-19)15-8-6-5-7-9-15/h5-11,14,20H,4,12-13H2,1-3H3/p+1/t20-/m1/s1