[2-methoxy-5-(3-oxidanylidenebutanoylamino)phenyl]-trimethyl-azanium chloride

Systemtic Name: [2-methoxy-5-(3-oxidanylidenebutanoylamino)phenyl]-trimethyl-azanium chloride Openeye Name: [2-methoxy-5-(3-oxobutanoylamino)phenyl]-trimethyl-ammonium chloride CAS Name: [5-(1,3-dioxobutylamino)-2-methoxyphenyl]-trimethylammonium chloride IUPAC Name: [2-methoxy-5-(3-oxobutanoylamino)phenyl]-trimethylazanium chloride Traditional Name: [5-(acetoacetylamino)-2-methoxy-phenyl]-trimethyl-ammonium chloride Formula: C14H21ClN2O3 MolecularWeight: 300.78114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C=C1)OC)[N+](C)(C)C.[Cl-]

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1)OC)[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C14H20N2O3.ClH/c1-10(17)8-14(18)15-11-6-7-13(19-5)12(9-11)16(2,3)4;/h6-7,9H,8H2,1-5H3;1H