2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-phenyl-4-thiophen-2-yl-5-thiazolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C24H23N4OS2+ MolecularWeight: 447.59562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C24H22N4OS2/c29-22(28-14-12-27(13-15-28)21-10-4-5-11-25-21)17-20-23(19-9-6-16-30-19)26-24(31-20)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2/p+1