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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-methylphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(3-methylphenoxy)-3-(4-piperonylpiperazino)propan-2-ol dihydrochloride Formula: C22H30Cl2N2O4 MolecularWeight: 457.3906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4.2ClH/c1-17-3-2-4-20(11-17)26-15-19(25)14-24-9-7-23(8-10-24)13-18-5-6-21-22(12-18)28-16-27-21;;/h2-6,11-12,19,25H,7-10,13-16H2,1H3;2*1H