1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-(4-piperonylpiperazino)-3-(3-thienyl)propan-1-one Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CSC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CSC=C4

InChI

InChI=1S/C19H22N2O3S/c22-19(4-2-15-5-10-25-13-15)21-8-6-20(7-9-21)12-16-1-3-17-18(11-16)24-14-23-17/h1,3,5,10-11,13H,2,4,6-9,12,14H2