N-(4-fluorophenyl)-2-[4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[(3S)-1-(2-thenoyl)nipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H28FN4O3S+ MolecularWeight: 459.556823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN4O3S/c24-18-5-7-19(8-6-18)25-21(29)16-26-10-12-27(13-11-26)22(30)17-3-1-9-28(15-17)23(31)20-4-2-14-32-20/h2,4-8,14,17H,1,3,9-13,15-16H2,(H,25,29)/p+1/t17-/m0/s1