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

Systemtic Name: 2-[4-(dimethylamino)but-2-ynyl]-2-(phenylmethyl)indene-1,3-dione hydrochloride Openeye Name: 2-benzyl-2-[4-(dimethylamino)but-2-ynyl]indane-1,3-dione hydrochloride CAS Name: 2-[4-(dimethylamino)but-2-ynyl]-2-(phenylmethyl)indene-1,3-dione hydrochloride IUPAC Name: 2-benzyl-2-[4-(dimethylamino)but-2-ynyl]indene-1,3-dione hydrochloride Traditional Name: 2-benzyl-2-[4-(dimethylamino)but-2-ynyl]indane-1,3-quinone hydrochloride Formula: C22H22ClNO2 MolecularWeight: 367.86858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H21NO2.ClH/c1-23(2)15-9-8-14-22(16-17-10-4-3-5-11-17)20(24)18-12-6-7-13-19(18)21(22)25;/h3-7,10-13H,14-16H2,1-2H3;1H