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

Systemtic Name: 2-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-thiophen-2-yl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H19N4O2S3+ MolecularWeight: 431.57476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H18N4O2S3/c20-12-15-4-1-2-6-18(15)28(24,25)23-9-7-22(8-10-23)13-16-14-27-19(21-16)17-5-3-11-26-17/h1-6,11,14H,7-10,13H2/p+1