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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-ethylphenoxy)propan-2-ol hydrochloride Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4-ethylphenoxy)propan-2-ol hydrochloride CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(4-ethylphenoxy)-2-propanol hydrochloride IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenoxy)propan-2-ol hydrochloride Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(4-ethylphenoxy)propan-2-ol hydrochloride Formula: C22H30Cl2N2O2 MolecularWeight: 425.3918

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2.ClH/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;1H