2-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C20H25FN3O2S+ MolecularWeight: 390.494803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C20H24FN3O2S/c1-3-17-14(2)11-18(27-17)20(26)24-9-7-23(8-10-24)13-19(25)22-16-6-4-5-15(21)12-16/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,22,25)/p+1