2-[4-(pyridin-4-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

Systemtic Name: 2-[4-(pyridin-4-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Openeye Name: 2-[4-(4-pyridylmethyl)-1-(3-thienylmethyl)piperazin-2-yl]ethanol CAS Name: 2-[4-(pyridin-4-ylmethyl)-1-(3-thiophenylmethyl)-2-piperazinyl]ethanol IUPAC Name: 2-[4-(pyridin-4-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Traditional Name: 2-[4-(4-pyridylmethyl)-1-(3-thenyl)piperazin-2-yl]ethanol Formula: C17H23N3OS MolecularWeight: 317.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=NC=C2)CCO)CC3=CSC=C3

Isomeric SMILES

C1CN(C(CN1CC2=CC=NC=C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C17H23N3OS/c21-9-3-17-13-19(11-15-1-5-18-6-2-15)7-8-20(17)12-16-4-10-22-14-16/h1-2,4-6,10,14,17,21H,3,7-9,11-13H2