1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloranyl-1-benzothiophen-3-yl)methyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloranyl-1-benzothiophen-3-yl)methyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chlorobenzothiophen-3-yl)methyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-1-benzothiophen-3-yl)methyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-1-benzothiophen-3-yl)methyl]piperazine Traditional Name: 1-[(5-chlorobenzothiophen-3-yl)methyl]-4-piperonyl-piperazine Formula: C21H21ClN2O2S MolecularWeight: 400.92164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C21H21ClN2O2S/c22-17-2-4-21-18(10-17)16(13-27-21)12-24-7-5-23(6-8-24)11-15-1-3-19-20(9-15)26-14-25-19/h1-4,9-10,13H,5-8,11-12,14H2