[5-chloranyl-1-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1-propyl-2H-inden-2-yl]azanium chloride

Systemtic Name: [5-chloranyl-1-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-1-propyl-2H-inden-2-yl]azanium chloride Openeye Name: [5-chloro-1-(2-ethoxy-2-oxo-ethyl)-3-oxo-1-propyl-indan-2-yl]ammonium chloride CAS Name: [5-chloro-1-(2-ethoxy-2-oxoethyl)-3-oxo-1-propyl-2H-inden-2-yl]ammonium chloride IUPAC Name: [5-chloro-1-(2-ethoxy-2-oxoethyl)-3-oxo-1-propyl-2H-inden-2-yl]azanium chloride Traditional Name: [5-chloro-1-(2-ethoxy-2-keto-ethyl)-3-keto-1-propyl-indan-2-yl]ammonium chloride Formula: C16H21Cl2NO3 MolecularWeight: 346.24884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(C(=O)C2=C1C=CC(=C2)Cl)[NH3+])CC(=O)OCC.[Cl-]

Isomeric SMILES

CCCC1(C(C(=O)C2=C1C=CC(=C2)Cl)[NH3+])CC(=O)OCC.[Cl-]

InChI

InChI=1S/C16H20ClNO3.ClH/c1-3-7-16(9-13(19)21-4-2)12-6-5-10(17)8-11(12)14(20)15(16)18;/h5-6,8,15H,3-4,7,9,18H2,1-2H3;1H