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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol dichloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol dichloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol dichloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol dichloride Traditional Name: 1-(4-isopropyl-3-methyl-phenoxy)-3-(4-piperonylpiperazino)propan-2-ol dichloride Formula: C25H34Cl2N2O4-2 MolecularWeight: 497.45446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C25H34N2O4.2ClH/c1-18(2)23-6-5-22(12-19(23)3)29-16-21(28)15-27-10-8-26(9-11-27)14-20-4-7-24-25(13-20)31-17-30-24;;/h4-7,12-13,18,21,28H,8-11,14-17H2,1-3H3;2*1H/p-2