1-(1,3-benzodioxol-5-ylmethyl)-4-cycloheptyl-piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-cycloheptyl-piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-cycloheptyl-piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine; oxalic acid Traditional Name: 1-cycloheptyl-4-piperonyl-piperazine; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-2-4-6-17(5-3-1)21-11-9-20(10-12-21)14-16-7-8-18-19(13-16)23-15-22-18;3-1(4)2(5)6/h7-8,13,17H,1-6,9-12,14-15H2;(H,3,4)(H,5,6)