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

Systemtic Name: 1-(5-azanyl-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 1-(5-aminobenzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one dihydrochloride CAS Name: 1-(5-amino-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 1-(5-amino-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one dihydrochloride Traditional Name: 1-(5-aminobenzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazino]propan-1-one dihydrochloride Formula: C22H27Cl2N3O2S MolecularWeight: 468.43968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S.2ClH/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,8-13,23H2,1H3;2*1H