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

Systemtic Name: 4-[[4-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[2-(2-thienyl)thiazol-4-yl]acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(2-thiophen-2-yl-4-thiazolyl)ethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[2-(2-thienyl)thiazol-4-yl]acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C21H21N4OS2+ MolecularWeight: 409.54764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H20N4OS2/c22-13-16-3-5-17(6-4-16)14-24-7-9-25(10-8-24)20(26)12-18-15-28-21(23-18)19-2-1-11-27-19/h1-6,11,15H,7-10,12,14H2/p+1