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

Systemtic Name: N-(4-methylphenyl)-2-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide Formula: C21H25N6OS+ MolecularWeight: 409.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6OS/c1-16-3-5-17(6-4-16)24-19(28)13-20-25-18(15-29-20)14-26-9-11-27(12-10-26)21-22-7-2-8-23-21/h2-8,15H,9-14H2,1H3,(H,24,28)/p+1