2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H24N5OS+ MolecularWeight: 406.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H23N5OS/c1-17-15-19(18-7-3-2-4-8-18)25-22(24-17)29-16-21(28)27-13-11-26(12-14-27)20-9-5-6-10-23-20/h2-10,15H,11-14,16H2,1H3/p+1