2-[4-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

Systemtic Name: 2-[4-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Openeye Name: 2-[4-[(5-chloro-2,3-dimethoxy-phenyl)methyl]-1-(3-thienylmethyl)piperazin-2-yl]ethanol CAS Name: 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(3-thiophenylmethyl)-2-piperazinyl]ethanol IUPAC Name: 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Traditional Name: 2-[4-(5-chloro-2,3-dimethoxy-benzyl)-1-(3-thenyl)piperazin-2-yl]ethanol Formula: C20H27ClN2O3S MolecularWeight: 410.95798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)CN2CCN(C(C2)CCO)CC3=CSC=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)CN2CCN(C(C2)CCO)CC3=CSC=C3)OC

InChI

InChI=1S/C20H27ClN2O3S/c1-25-19-10-17(21)9-16(20(19)26-2)12-22-5-6-23(18(13-22)3-7-24)11-15-4-8-27-14-15/h4,8-10,14,18,24H,3,5-7,11-13H2,1-2H3