3-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-1-(5-nitrothiophen-3-yl)propan-1-one dihydrochloride

Systemtic Name: 3-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-1-(5-nitrothiophen-3-yl)propan-1-one dihydrochloride Openeye Name: 3-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-(5-nitro-3-thienyl)propan-1-one dihydrochloride CAS Name: 3-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-1-(5-nitro-3-thiophenyl)-1-propanone dihydrochloride IUPAC Name: 3-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-(5-nitrothiophen-3-yl)propan-1-one dihydrochloride Traditional Name: 3-[4-(2-fluorobenzoyl)piperazino]-1-(5-nitro-3-thienyl)propan-1-one dihydrochloride Formula: C18H20Cl2FN3O4S MolecularWeight: 464.338503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CSC(=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CSC(=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F.Cl.Cl

InChI

InChI=1S/C18H18FN3O4S.2ClH/c19-15-4-2-1-3-14(15)18(24)21-9-7-20(8-10-21)6-5-16(23)13-11-17(22(25)26)27-12-13;;/h1-4,11-12H,5-10H2;2*1H