2-[4-(dimethylamino)but-2-ynyl]-2-phenyl-indene-1,3-dione hydrochloride

Systemtic Name: 2-[4-(dimethylamino)but-2-ynyl]-2-phenyl-indene-1,3-dione hydrochloride Openeye Name: 2-[4-(dimethylamino)but-2-ynyl]-2-phenyl-indane-1,3-dione hydrochloride CAS Name: 2-[4-(dimethylamino)but-2-ynyl]-2-phenylindene-1,3-dione hydrochloride IUPAC Name: 2-[4-(dimethylamino)but-2-ynyl]-2-phenylindene-1,3-dione hydrochloride Traditional Name: 2-[4-(dimethylamino)but-2-ynyl]-2-phenyl-indane-1,3-quinone hydrochloride Formula: C21H20ClNO2 MolecularWeight: 353.842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H19NO2.ClH/c1-22(2)15-9-8-14-21(16-10-4-3-5-11-16)19(23)17-12-6-7-13-18(17)20(21)24;/h3-7,10-13H,14-15H2,1-2H3;1H