2-(dimethylamino)-1-[5-(6-phenylhex-1-ynyl)thiophen-2-yl]propane-1,3-diol

Systemtic Name: 2-(dimethylamino)-1-[5-(6-phenylhex-1-ynyl)thiophen-2-yl]propane-1,3-diol Openeye Name: 2-(dimethylamino)-1-[5-(6-phenylhex-1-ynyl)-2-thienyl]propane-1,3-diol CAS Name: 2-(dimethylamino)-1-[5-(6-phenylhex-1-ynyl)-2-thiophenyl]propane-1,3-diol IUPAC Name: 2-(dimethylamino)-1-[5-(6-phenylhex-1-ynyl)thiophen-2-yl]propane-1,3-diol Traditional Name: 2-(dimethylamino)-1-[5-(6-phenylhex-1-ynyl)-2-thienyl]propane-1,3-diol Formula: C21H27NO2S MolecularWeight: 357.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CO)C(C1=CC=C(S1)C#CCCCCC2=CC=CC=C2)O

Isomeric SMILES

CN(C)C(CO)C(C1=CC=C(S1)C#CCCCCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO2S/c1-22(2)19(16-23)21(24)20-15-14-18(25-20)13-9-4-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,14-15,19,21,23-24H,3-4,6,10,16H2,1-2H3