N-(2,6-dimethylphenyl)-N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-N-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-N-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide Formula: C22H27N6OS+ MolecularWeight: 423.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C(=O)C

InChI

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