(2R)-1-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]piperidine-2-carboxamide

Systemtic Name: (2R)-1-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]piperidine-2-carboxamide Openeye Name: (2R)-1-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide CAS Name: (2R)-1-[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]piperidine-2-carboxamide Traditional Name: (2R)-1-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]pipecolinamide Formula: C16H25N4O4S2+ MolecularWeight: 401.5241

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H24N4O4S2/c17-16(22)13-4-1-2-6-20(13)14(21)12-18-7-9-19(10-8-18)26(23,24)15-5-3-11-25-15/h3,5,11,13H,1-2,4,6-10,12H2,(H2,17,22)/p+1/t13-/m1/s1