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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

InChI

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