4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[(2-thiophen-2-yl-4-thiazolyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C12H14N3OS2+ MolecularWeight: 280.38906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CSC(=N2)C3=CC=CS3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CSC(=N2)C3=CC=CS3

InChI

InChI=1S/C12H13N3OS2/c16-11-7-15(4-3-13-11)6-9-8-18-12(14-9)10-2-1-5-17-10/h1-2,5,8H,3-4,6-7H2,(H,13,16)/p+1