2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(2,4,5-trimethylphenyl)thiazol-2-yl]acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-[4-(2,4,5-trimethylphenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-[4-(2,4,5-trimethylphenyl)thiazol-2-yl]acetamide Formula: C22H27N6OS+ MolecularWeight: 423.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C)C

InChI

InChI=1S/C22H26N6OS/c1-15-11-17(3)18(12-16(15)2)19-14-30-22(25-19)26-20(29)13-27-7-9-28(10-8-27)21-23-5-4-6-24-21/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,25,26,29)/p+1