2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-diethyl-ethanamide; ethanedioic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-diethyl-ethanamide; ethanedioic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-diethyl-acetamide; oxalic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N,N-diethylacetamide; oxalic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-diethylacetamide; oxalic acid Traditional Name: N,N-diethyl-2-(4-piperonylpiperazino)acetamide; oxalic acid Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)C(=O)CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O3.C2H2O4/c1-3-21(4-2)18(22)13-20-9-7-19(8-10-20)12-15-5-6-16-17(11-15)24-14-23-16;3-1(4)2(5)6/h5-6,11H,3-4,7-10,12-14H2,1-2H3;(H,3,4)(H,5,6)