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

Systemtic Name: 2-[[3-[(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[(6-acetyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C22H25N3O4/c1-15(26)17-7-8-20-19(12-17)25(21(27)14-29-20)13-16-5-4-6-18(11-16)22(28)23-9-10-24(2)3/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,23,28)/p+1