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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol hydrochloride Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol hydrochloride CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(4-methoxyphenoxy)-2-propanol hydrochloride IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol hydrochloride Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(4-methoxyphenoxy)propan-2-ol hydrochloride Formula: C21H28Cl2N2O3 MolecularWeight: 427.36462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC3=CC=C(C=C3)OC)O.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC3=CC=C(C=C3)OC)O.Cl

InChI

InChI=1S/C21H27ClN2O3.ClH/c1-16-3-4-17(22)13-21(16)24-11-9-23(10-12-24)14-18(25)15-27-20-7-5-19(26-2)6-8-20;/h3-8,13,18,25H,9-12,14-15H2,1-2H3;1H