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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4.ClH/c1-13(2)11-22(12-14(3)4)10-9-21-19(24)17-18(23)15-7-5-6-8-16(15)26-20(17)25;/h5-8,13-14,25H,9-12H2,1-4H3,(H,21,24);1H