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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-cyclopentyl-propan-1-one; ethanedioic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-cyclopentyl-propan-1-one; oxalic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-cyclopentyl-1-propanone; oxalic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one; oxalic acid Traditional Name: 3-cyclopentyl-1-(4-piperonylpiperazino)propan-1-one; oxalic acid Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H28N2O3.C2H2O4/c23-20(8-6-16-3-1-2-4-16)22-11-9-21(10-12-22)14-17-5-7-18-19(13-17)25-15-24-18;3-1(4)2(5)6/h5,7,13,16H,1-4,6,8-12,14-15H2;(H,3,4)(H,5,6)