N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S/c26-19(22-16-5-7-17(8-6-16)25-9-1-4-20(25)27)15-23-10-12-24(13-11-23)21(28)18-3-2-14-29-18/h2-3,5-8,14H,1,4,9-13,15H2,(H,22,26)/p+1