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

Systemtic Name: 1-(5-chloranyl-4-nitro-thiophen-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(5-chloro-4-nitro-2-thienyl)propan-1-one dihydrochloride CAS Name: 1-(5-chloro-4-nitro-2-thiophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(5-chloro-4-nitrothiophen-2-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(5-chloro-4-nitro-2-thienyl)propan-1-one dihydrochloride Formula: C18H22Cl3N3O3S MolecularWeight: 466.80958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-])CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-])CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C18H20ClN3O3S.2ClH/c19-18-15(22(24)25)12-17(26-18)16(23)6-7-20-8-10-21(11-9-20)13-14-4-2-1-3-5-14;;/h1-5,12H,6-11,13H2;2*1H