(2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol Traditional Name: (2R)-1-(4-benzylpiperazino)-3-piperonyloxy-propan-2-ol Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C[C@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H28N2O4/c25-20(16-26-15-19-6-7-21-22(12-19)28-17-27-21)14-24-10-8-23(9-11-24)13-18-4-2-1-3-5-18/h1-7,12,20,25H,8-11,13-17H2/t20-/m1/s1