1-(5-chloranyl-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one hydrochloride

Systemtic Name: 1-(5-chloranyl-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one hydrochloride Openeye Name: 1-(5-chlorobenzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one hydrochloride CAS Name: 1-(5-chloro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone hydrochloride IUPAC Name: 1-(5-chloro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one hydrochloride Traditional Name: 1-(5-chlorobenzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazino]propan-1-one hydrochloride Formula: C22H24Cl2N2O2S MolecularWeight: 451.40916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CSC4=C3C=C(C=C4)Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CSC4=C3C=C(C=C4)Cl.Cl

InChI

InChI=1S/C22H23ClN2O2S.ClH/c1-27-21-5-3-2-4-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-7-6-16(23)14-17(18)22;/h2-7,14-15H,8-13H2,1H3;1H