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

Systemtic Name: N-phenyl-2-[4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[(3S)-1-(2-thenoyl)nipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c28-21(24-19-7-2-1-3-8-19)17-25-11-13-26(14-12-25)22(29)18-6-4-10-27(16-18)23(30)20-9-5-15-31-20/h1-3,5,7-9,15,18H,4,6,10-14,16-17H2,(H,24,28)/p+1/t18-/m0/s1