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

Systemtic Name: [2-methoxy-5-(3-oxidanylidenebutanoylamino)phenyl]-trimethyl-azanium perchlorate Openeye Name: [2-methoxy-5-(3-oxobutanoylamino)phenyl]-trimethyl-ammonium perchlorate CAS Name: [5-(1,3-dioxobutylamino)-2-methoxyphenyl]-trimethylammonium perchlorate IUPAC Name: [2-methoxy-5-(3-oxobutanoylamino)phenyl]-trimethylazanium perchlorate Traditional Name: [5-(acetoacetylamino)-2-methoxy-phenyl]-trimethyl-ammonium perchlorate Formula: C14H21ClN2O7 MolecularWeight: 364.77874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3.ClHO4/c1-10(17)8-14(18)15-11-6-7-13(19-5)12(9-11)16(2,3)4;2-1(3,4)5/h6-7,9H,8H2,1-5H3;(H,2,3,4,5)