1-(5-bromanylthiophen-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(5-bromo-2-thienyl)propan-1-one dihydrochloride CAS Name: 1-(5-bromo-2-thiophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(5-bromo-2-thienyl)propan-1-one dihydrochloride Formula: C18H23BrCl2N2OS MolecularWeight: 466.26302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=C(S2)Br)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=C(S2)Br)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C18H21BrN2OS.2ClH/c19-18-7-6-17(23-18)16(22)8-9-20-10-12-21(13-11-20)14-15-4-2-1-3-5-15;;/h1-7H,8-14H2;2*1H