1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(4-propylphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(4-propylphenoxy)propan-2-ol dihydrochloride Formula: C23H33Cl3N2O2 MolecularWeight: 475.87932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O.Cl.Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O.Cl.Cl

InChI

InChI=1S/C23H31ClN2O2.2ClH/c1-3-4-19-6-9-22(10-7-19)28-17-21(27)16-25-11-13-26(14-12-25)23-15-20(24)8-5-18(23)2;;/h5-10,15,21,27H,3-4,11-14,16-17H2,1-2H3;2*1H