N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(2-methylthiazol-4-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(2-methyl-4-thiazolyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(2-methylthiazol-4-yl)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23N6OS+ MolecularWeight: 395.50122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6OS/c1-15-23-18(14-28-15)16-4-2-5-17(12-16)24-19(27)13-25-8-10-26(11-9-25)20-21-6-3-7-22-20/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)/p+1