[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone; ethanedioic acid

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C20H24N2O8S MolecularWeight: 452.47816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O4S.C2H2O4/c1-23-14-10-13(11-15(24-2)17(14)21)12-19-5-7-20(8-6-19)18(22)16-4-3-9-25-16;3-1(4)2(5)6/h3-4,9-11,21H,5-8,12H2,1-2H3;(H,3,4)(H,5,6)