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

Systemtic Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-[(2-chlorophenyl)methyl]-2-thiazolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-(2-chlorobenzyl)thiazol-2-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22ClN6OS+ MolecularWeight: 429.94628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3Cl)C4=NC=CC=N4

InChI

InChI=1S/C20H21ClN6OS/c21-17-5-2-1-4-15(17)12-16-13-24-20(29-16)25-18(28)14-26-8-10-27(11-9-26)19-22-6-3-7-23-19/h1-7,13H,8-12,14H2,(H,24,25,28)/p+1