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

Systemtic Name: 2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(o-tolyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(2-methylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(o-tolyl)-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C19H22N5S+ MolecularWeight: 352.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H21N5S/c1-15-5-2-3-6-17(15)18-22-16(14-25-18)13-23-9-11-24(12-10-23)19-20-7-4-8-21-19/h2-8,14H,9-13H2,1H3/p+1