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

Systemtic Name: 2-[2-(6-chloranyl-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(6-chloro-2-ethyl-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]ethyl-dimethyl-ammonium Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NCC[NH+](C)C

Isomeric SMILES

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NCC[NH+](C)C

InChI

InChI=1S/C16H22ClN3O3/c1-4-13-16(22)20(10-15(21)18-7-8-19(2)3)12-9-11(17)5-6-14(12)23-13/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,18,21)/p+1