1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol dihydrochloride

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-3-(2,3,5-trimethylphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-[4-(2-pyridyl)piperazino]-3-(2,3,5-trimethylphenoxy)propan-2-ol dihydrochloride Formula: C21H31Cl2N3O2 MolecularWeight: 428.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C)C.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C)C.Cl.Cl

InChI

InChI=1S/C21H29N3O2.2ClH/c1-16-12-17(2)18(3)20(13-16)26-15-19(25)14-23-8-10-24(11-9-23)21-6-4-5-7-22-21;;/h4-7,12-13,19,25H,8-11,14-15H2,1-3H3;2*1H