3-[(2-propan-2-yloxyphenyl)carbonylamino]propylazanium chloride

Systemtic Name: 3-[(2-propan-2-yloxyphenyl)carbonylamino]propylazanium chloride Openeye Name: 3-[(2-isopropoxybenzoyl)amino]propylammonium chloride CAS Name: 3-[[oxo-(2-propan-2-yloxyphenyl)methyl]amino]propylammonium chloride IUPAC Name: 3-[(2-propan-2-yloxybenzoyl)amino]propylazanium chloride Traditional Name: 3-[(2-isopropoxybenzoyl)amino]propylammonium chloride Formula: C13H21ClN2O2 MolecularWeight: 272.77104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C(=O)NCCC[NH3+].[Cl-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1C(=O)NCCC[NH3+].[Cl-]

InChI

InChI=1S/C13H20N2O2.ClH/c1-10(2)17-12-7-4-3-6-11(12)13(16)15-9-5-8-14;/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16);1H