ethanedioic acid; thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: oxalic acid; 2-thienyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: oxalic acid; thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: oxalic acid; thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: oxalic acid; 2-thienyl-[4-(2,3,4-trimethoxybenzyl)piperazino]methanone Formula: C21H26N2O8S MolecularWeight: 466.50474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O4S.C2H2O4/c1-23-15-7-6-14(17(24-2)18(15)25-3)13-20-8-10-21(11-9-20)19(22)16-5-4-12-26-16;3-1(4)2(5)6/h4-7,12H,8-11,13H2,1-3H3;(H,3,4)(H,5,6)