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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-propan-2-ol dichloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-isopropyl-5-methyl-cyclohexoxy)propan-2-ol dichloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propanol dichloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride Traditional Name: 1-(2-isopropyl-5-methyl-cyclohexoxy)-3-(4-piperonylpiperazino)propan-2-ol dichloride Formula: C25H40Cl2N2O4-2 MolecularWeight: 503.5021

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C25H40N2O4.2ClH/c1-18(2)22-6-4-19(3)12-24(22)29-16-21(28)15-27-10-8-26(9-11-27)14-20-5-7-23-25(13-20)31-17-30-23;;/h5,7,13,18-19,21-22,24,28H,4,6,8-12,14-17H2,1-3H3;2*1H/p-2