3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-2-oxidanyl-2H-furan-5-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-2-oxidanyl-2H-furan-5-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-2-hydroxy-2H-furan-5-one CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-chloro-2-hydroxy-2H-furan-5-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-2-hydroxy-2H-furan-5-one Traditional Name: 4-chloro-2-hydroxy-3-(4-piperonylpiperazino)-2H-furan-5-one Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)OC4O)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)OC4O)Cl

InChI

InChI=1S/C16H17ClN2O5/c17-13-14(16(21)24-15(13)20)19-5-3-18(4-6-19)8-10-1-2-11-12(7-10)23-9-22-11/h1-2,7,16,21H,3-6,8-9H2