2-(6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethyl-dimethyl-azanium chloride

Systemtic Name: 2-(6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethyl-dimethyl-azanium chloride Openeye Name: 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-dimethyl-ammonium chloride CAS Name: 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-dimethylammonium chloride IUPAC Name: 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-dimethylazanium chloride Traditional Name: 2-(6-chloro-3-keto-2-methyl-1,4-benzoxazin-4-yl)ethyl-dimethyl-ammonium chloride Formula: C13H18Cl2N2O2 MolecularWeight: 305.20022

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC[NH+](C)C.[Cl-]

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC[NH+](C)C.[Cl-]

InChI

InChI=1S/C13H17ClN2O2.ClH/c1-9-13(17)16(7-6-15(2)3)11-8-10(14)4-5-12(11)18-9;/h4-5,8-9H,6-7H2,1-3H3;1H