2-[4-(diethylamino)but-2-ynyl]-2-methyl-indene-1,3-dione hydrochloride

Systemtic Name: 2-[4-(diethylamino)but-2-ynyl]-2-methyl-indene-1,3-dione hydrochloride Openeye Name: 2-[4-(diethylamino)but-2-ynyl]-2-methyl-indane-1,3-dione hydrochloride CAS Name: 2-[4-(diethylamino)but-2-ynyl]-2-methylindene-1,3-dione hydrochloride IUPAC Name: 2-[4-(diethylamino)but-2-ynyl]-2-methylindene-1,3-dione hydrochloride Traditional Name: 2-[4-(diethylamino)but-2-ynyl]-2-methyl-indane-1,3-quinone hydrochloride Formula: C18H22ClNO2 MolecularWeight: 319.82578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2.ClH/c1-4-19(5-2)13-9-8-12-18(3)16(20)14-10-6-7-11-15(14)17(18)21;/h6-7,10-11H,4-5,12-13H2,1-3H3;1H