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

Systemtic Name: 3-[(2R)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C18H26ClN2O3+ MolecularWeight: 353.86364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O3/c1-12(2)17-18(23)21(9-5-8-20(3)4)14-10-13(15(22)11-19)6-7-16(14)24-17/h6-7,10,12,17H,5,8-9,11H2,1-4H3/p+1/t17-/m1/s1