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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-phenylmethoxy-propan-2-ol dihydrochloride Openeye Name: 1-benzyloxy-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-phenylmethoxy-2-propanol dihydrochloride IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dihydrochloride Traditional Name: 1-benzoxy-3-[4-(5-chloro-2-methyl-phenyl)piperazino]propan-2-ol dihydrochloride Formula: C21H29Cl3N2O2 MolecularWeight: 447.82616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COCC3=CC=CC=C3)O.Cl.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COCC3=CC=CC=C3)O.Cl.Cl

InChI

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