6-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(3-thenyl)piperazino]methyl]sesamol Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C17H20N2O3S/c20-15-8-17-16(21-12-22-17)7-14(15)10-19-4-2-18(3-5-19)9-13-1-6-23-11-13/h1,6-8,11,20H,2-5,9-10,12H2