2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-yl-propan-1-one; ethanedioic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-yl-propan-1-one; ethanedioic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-yl-propan-1-one; oxalic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(1-pyrrolidinyl)-1-propanone; oxalic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one; oxalic acid Traditional Name: oxalic acid; 2-(4-piperonylpiperazino)-1-pyrrolidino-propan-1-one Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)N1CCCC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27N3O3.C2H2O4/c1-15(19(23)22-6-2-3-7-22)21-10-8-20(9-11-21)13-16-4-5-17-18(12-16)25-14-24-17;3-1(4)2(5)6/h4-5,12,15H,2-3,6-11,13-14H2,1H3;(H,3,4)(H,5,6)