2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,5-dimethyl-3-thienyl)ethanol CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(2,5-dimethyl-3-thiophenyl)ethanol IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol Traditional Name: 1-(2,5-dimethyl-3-thienyl)-2-(4-piperonylpiperazino)ethanol Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC(=C(S1)C)C(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H26N2O3S/c1-14-9-17(15(2)26-14)18(23)12-22-7-5-21(6-8-22)11-16-3-4-19-20(10-16)25-13-24-19/h3-4,9-10,18,23H,5-8,11-13H2,1-2H3