3-[6-(2-chloranylethanoyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[6-(2-chloranylethanoyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-(2-chloroacetyl)-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-(2-chloro-1-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[6-(2-chloroacetyl)-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[6-(2-chloroacetyl)-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C15H20ClN2O3+ MolecularWeight: 311.7839

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

Isomeric SMILES

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

InChI

InChI=1S/C15H19ClN2O3/c1-17(2)6-3-7-18-12-8-11(13(19)9-16)4-5-14(12)21-10-15(18)20/h4-5,8H,3,6-7,9-10H2,1-2H3/p+1