[[3-aminocarbonyl-5-(phenylcarbonyl)-1,2-oxazol-4-yl]diazenyl]-dibutyl-azanium chloride

Systemtic Name: [[3-aminocarbonyl-5-(phenylcarbonyl)-1,2-oxazol-4-yl]diazenyl]-dibutyl-azanium chloride Openeye Name: (5-benzoyl-3-carbamoyl-isoxazol-4-yl)azo-dibutyl-ammonium chloride CAS Name: (5-benzoyl-3-carbamoyl-4-isoxazolyl)azo-dibutylammonium chloride IUPAC Name: [(5-benzoyl-3-carbamoyl-1,2-oxazol-4-yl)diazenyl]-dibutylazanium chloride Traditional Name: (5-benzoyl-3-carbamoyl-isoxazol-4-yl)azo-dibutyl-ammonium chloride Formula: C19H26ClN5O3 MolecularWeight: 407.89444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)N=NC1=C(ON=C1C(=O)N)C(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCC[NH+](CCCC)N=NC1=C(ON=C1C(=O)N)C(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C19H25N5O3.ClH/c1-3-5-12-24(13-6-4-2)23-21-15-16(19(20)26)22-27-18(15)17(25)14-10-8-7-9-11-14;/h7-11H,3-6,12-13H2,1-2H3,(H2,20,26);1H