dibutyl-[2-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)carbonylamino]ethyl]azanium chloride

Systemtic Name: dibutyl-[2-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)carbonylamino]ethyl]azanium chloride Openeye Name: dibutyl-[2-[(2-hydroxy-4-oxo-chromene-3-carbonyl)amino]ethyl]ammonium chloride CAS Name: dibutyl-[2-[[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-oxomethyl]amino]ethyl]ammonium chloride IUPAC Name: dibutyl-[2-[(2-hydroxy-4-oxochromene-3-carbonyl)amino]ethyl]azanium chloride Traditional Name: dibutyl-[2-[(2-hydroxy-4-keto-chromene-3-carbonyl)amino]ethyl]ammonium chloride Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCNC(=O)C1=C(OC2=CC=CC=C2C1=O)O.[Cl-]

Isomeric SMILES

CCCC[NH+](CCCC)CCNC(=O)C1=C(OC2=CC=CC=C2C1=O)O.[Cl-]

InChI

InChI=1S/C20H28N2O4.ClH/c1-3-5-12-22(13-6-4-2)14-11-21-19(24)17-18(23)15-9-7-8-10-16(15)26-20(17)25;/h7-10,25H,3-6,11-14H2,1-2H3,(H,21,24);1H