2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(4-piperonylpiperazino)methyl]pyran-4-one Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C(=O)C=C(O4)CO)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C(=O)C=C(O4)CO)O

InChI

InChI=1S/C19H22N2O6/c22-11-14-8-15(23)19(24)18(27-14)10-21-5-3-20(4-6-21)9-13-1-2-16-17(7-13)26-12-25-16/h1-2,7-8,22,24H,3-6,9-12H2