4-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-2,3-dimethyl-phenol hydrochloride

Systemtic Name: 4-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-2,3-dimethyl-phenol hydrochloride Openeye Name: 4-[2-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-2,3-dimethyl-phenol hydrochloride CAS Name: 4-[2-hydroxy-1-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]-2,3-dimethylphenol hydrochloride IUPAC Name: 4-[2-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-2,3-dimethylphenol hydrochloride Traditional Name: 4-[2-hydroxy-1-[4-(2-methoxyphenyl)piperazino]propoxy]-2,3-dimethyl-phenol hydrochloride Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC(C(C)O)N2CCN(CC2)C3=CC=CC=C3OC)O.Cl

Isomeric SMILES

CC1=C(C=CC(=C1C)OC(C(C)O)N2CCN(CC2)C3=CC=CC=C3OC)O.Cl

InChI

InChI=1S/C22H30N2O4.ClH/c1-15-16(2)20(10-9-19(15)26)28-22(17(3)25)24-13-11-23(12-14-24)18-7-5-6-8-21(18)27-4;/h5-10,17,22,25-26H,11-14H2,1-4H3;1H