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

Systemtic Name: 1-(5-nitrothiophen-3-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(5-nitro-3-thienyl)propan-1-one dihydrochloride CAS Name: 1-(5-nitro-3-thiophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(5-nitrothiophen-3-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(5-nitro-3-thienyl)propan-1-one dihydrochloride Formula: C18H23Cl2N3O3S MolecularWeight: 432.36452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CSC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CSC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C18H21N3O3S.2ClH/c22-17(16-12-18(21(23)24)25-14-16)6-7-19-8-10-20(11-9-19)13-15-4-2-1-3-5-15;;/h1-5,12,14H,6-11,13H2;2*1H