1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-phenyl-piperazine; ethanedioic acid

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-phenyl-piperazine; ethanedioic acid Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: oxalic acid; 1-phenyl-4-(1-piperonyl-4-piperidyl)piperazine Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29N3O2.C2H2O4/c1-2-4-20(5-3-1)25-12-14-26(15-13-25)21-8-10-24(11-9-21)17-19-6-7-22-23(16-19)28-18-27-22;3-1(4)2(5)6/h1-7,16,21H,8-15,17-18H2;(H,3,4)(H,5,6)