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

Systemtic Name: 2-[4-(5-acetamidothiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(5-acetamido-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C19H22FN4O3S+ MolecularWeight: 405.466383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C19H21FN4O3S/c1-13(25)21-18-6-5-16(28-18)19(27)24-9-7-23(8-10-24)12-17(26)22-15-4-2-3-14(20)11-15/h2-6,11H,7-10,12H2,1H3,(H,21,25)(H,22,26)/p+1