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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

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