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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O)O.Cl

Isomeric SMILES

CC1=C(C=CC(=C1C)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O)O.Cl

InChI

InChI=1S/C22H30N2O4.ClH/c1-16-17(2)21(9-8-20(16)26)28-15-18(25)14-23-10-12-24(13-11-23)19-6-4-5-7-22(19)27-3;/h4-9,18,25-26H,10-15H2,1-3H3;1H