1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenylmethoxy-propan-2-ol hydrochloride

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenylmethoxy-propan-2-ol hydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-benzyloxy-propan-2-ol hydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-phenylmethoxy-2-propanol hydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol hydrochloride Traditional Name: 1-benzoxy-3-(4-piperonylpiperazino)propan-2-ol hydrochloride Formula: C22H29ClN2O4 MolecularWeight: 420.92966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CC=C4)O.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CC=C4)O.Cl

InChI

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