2-hydroxyethyl-dimethyl-[3-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]propyl]azanium chloride

Systemtic Name: 2-hydroxyethyl-dimethyl-[3-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]propyl]azanium chloride Openeye Name: 2-hydroxyethyl-dimethyl-[3-[(3-oxobenzo[f]chromene-2-carbonyl)amino]propyl]ammonium chloride CAS Name: 2-hydroxyethyl-dimethyl-[3-[[oxo-(3-oxo-2-benzo[f][1]benzopyranyl)methyl]amino]propyl]ammonium chloride IUPAC Name: 2-hydroxyethyl-dimethyl-[3-[(3-oxobenzo[f]chromene-2-carbonyl)amino]propyl]azanium chloride Traditional Name: 2-hydroxyethyl-[3-[(3-ketobenzo[f]chromene-2-carbonyl)amino]propyl]-dimethyl-ammonium chloride Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCNC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O)CCO.[Cl-]

Isomeric SMILES

C[N+](C)(CCCNC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O)CCO.[Cl-]

InChI

InChI=1S/C21H24N2O4.ClH/c1-23(2,12-13-24)11-5-10-22-20(25)18-14-17-16-7-4-3-6-15(16)8-9-19(17)27-21(18)26;/h3-4,6-9,14,24H,5,10-13H2,1-2H3;1H