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

Systemtic Name: 2-(2-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(2-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(2-chlorophenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(2-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(2-chlorophenyl)-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C18H19ClN5S+ MolecularWeight: 372.89496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3Cl)C4=NC=CC=N4

InChI

InChI=1S/C18H18ClN5S/c19-16-5-2-1-4-15(16)17-22-14(13-25-17)12-23-8-10-24(11-9-23)18-20-6-3-7-21-18/h1-7,13H,8-12H2/p+1