(2S)-N-(2-fluorophenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-fluorophenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-fluorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-fluorophenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-fluorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-fluorophenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C18H21FN3O2S+ MolecularWeight: 362.441643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1F)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H20FN3O2S/c1-13(17(23)20-15-6-3-2-5-14(15)19)21-8-10-22(11-9-21)18(24)16-7-4-12-25-16/h2-7,12-13H,8-11H2,1H3,(H,20,23)/p+1/t13-/m0/s1