1-(4-chloranyl-3-methyl-phenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride

Systemtic Name: 1-(4-chloranyl-3-methyl-phenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methyl-phenoxy)propan-2-ol dihydrochloride CAS Name: 1-(4-chloro-3-methylphenoxy)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-benzylpiperazino)-3-(4-chloro-3-methyl-phenoxy)propan-2-ol dihydrochloride Formula: C21H29Cl3N2O2 MolecularWeight: 447.82616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O2.2ClH/c1-17-13-20(7-8-21(17)22)26-16-19(25)15-24-11-9-23(10-12-24)14-18-5-3-2-4-6-18;;/h2-8,13,19,25H,9-12,14-16H2,1H3;2*1H