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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-ethylphenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4-ethylphenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(4-ethylphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(4-ethylphenoxy)propan-2-ol dihydrochloride Formula: C22H31Cl3N2O2 MolecularWeight: 461.85274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O.Cl.Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O.Cl.Cl

InChI

InChI=1S/C22H29ClN2O2.2ClH/c1-3-18-5-8-21(9-6-18)27-16-20(26)15-24-10-12-25(13-11-24)22-14-19(23)7-4-17(22)2;;/h4-9,14,20,26H,3,10-13,15-16H2,1-2H3;2*1H