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

Systemtic Name: N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(2,4-dimethoxyphenyl)-2-thiazolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N6O3S+ MolecularWeight: 441.5266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C21H24N6O3S/c1-29-15-4-5-16(18(12-15)30-2)17-14-31-21(24-17)25-19(28)13-26-8-10-27(11-9-26)20-22-6-3-7-23-20/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,25,28)/p+1