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

Systemtic Name: 3-[(2R)-6-(2-chloranylethanoyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-6-(2-chloro-1-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-(2-chloroacetyl)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C16H22ClN2O3+ MolecularWeight: 325.81048

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC[NH+](C)C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC[NH+](C)C

InChI

InChI=1S/C16H21ClN2O3/c1-11-16(21)19(8-4-7-18(2)3)13-9-12(14(20)10-17)5-6-15(13)22-11/h5-6,9,11H,4,7-8,10H2,1-3H3/p+1/t11-/m1/s1