1-pyrrolidin-1-yl-2-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]piperazin-1-ium-1-yl]ethanone Formula: C18H25N6O2S2+ MolecularWeight: 421.5601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H24N6O2S2/c25-15(23-5-1-2-6-23)12-22-7-9-24(10-8-22)16(26)13-28-18-19-17(20-21-18)14-4-3-11-27-14/h3-4,11H,1-2,5-10,12-13H2,(H,19,20,21)/p+1