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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C(=O)C4=CSC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C(=O)C4=CSC=C4

InChI

InChI=1S/C23H27FN4O3S/c24-19-2-1-3-20(14-19)25-21(29)15-26-9-11-28(12-10-26)22(30)17-4-7-27(8-5-17)23(31)18-6-13-32-16-18/h1-3,6,13-14,16-17H,4-5,7-12,15H2,(H,25,29)/p+1