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

Systemtic Name: N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C17H19FN3O2S+ MolecularWeight: 348.415063

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)N[C@@H](C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C17H18FN3O2S/c18-13-5-3-12(4-6-13)17(14-2-1-9-24-14)20-16(23)11-21-8-7-19-15(22)10-21/h1-6,9,17H,7-8,10-11H2,(H,19,22)(H,20,23)/p+1/t17-/m0/s1