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

Systemtic Name: 2-(3-bromophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(3-bromophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(3-bromophenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3-bromophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(3-bromophenyl)-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C18H19BrN5S+ MolecularWeight: 417.34596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN5S/c19-15-4-1-3-14(11-15)17-22-16(13-25-17)12-23-7-9-24(10-8-23)18-20-5-2-6-21-18/h1-6,11,13H,7-10,12H2/p+1