2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-chlorophenyl)-2-thiazolyl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-chlorophenyl)thiazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H20ClN4OS2+ MolecularWeight: 431.982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC(=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4OS2/c21-16-6-4-15(5-7-16)17-13-27-20(23-17)28-14-19(26)25-11-9-24(10-12-25)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2/p+1