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

Systemtic Name: 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(4-chlorophenyl)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-(4-chlorophenyl)-4-thiazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(4-chlorophenyl)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H20ClN4OS+ MolecularWeight: 399.917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CSC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CSC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4OS/c21-16-6-4-15(5-7-16)20-23-17(14-27-20)13-19(26)25-11-9-24(10-12-25)18-3-1-2-8-22-18/h1-8,14H,9-13H2/p+1