3-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl-dimethyl-azanium chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)Cl.[Cl-]

Isomeric SMILES

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)Cl.[Cl-]

InChI

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