1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol dichloride CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol dichloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride Traditional Name: 1-piperonyloxy-3-[4-(2-pyridyl)piperazino]propan-2-ol dichloride Formula: C20H25Cl2N3O4-2 MolecularWeight: 442.3362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=N4.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=N4.[Cl-].[Cl-]

InChI

InChI=1S/C20H25N3O4.2ClH/c24-17(14-25-13-16-4-5-18-19(11-16)27-15-26-18)12-22-7-9-23(10-8-22)20-3-1-2-6-21-20;;/h1-6,11,17,24H,7-10,12-15H2;2*1H/p-2