1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol dichloride

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol dichloride Openeye Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-2-ol dichloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol dichloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol dichloride Traditional Name: 1-(4-allyl-2-methoxy-phenoxy)-3-(4-piperonylpiperazino)propan-2-ol dichloride Formula: C25H32Cl2N2O5-2 MolecularWeight: 511.43798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.[Cl-].[Cl-]

InChI

InChI=1S/C25H32N2O5.2ClH/c1-3-4-19-5-7-22(24(13-19)29-2)30-17-21(28)16-27-11-9-26(10-12-27)15-20-6-8-23-25(14-20)32-18-31-23;;/h3,5-8,13-14,21,28H,1,4,9-12,15-18H2,2H3;2*1H/p-2