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

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C16H18N5S+ MolecularWeight: 312.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=NC=CC=N4

InChI

InChI=1S/C16H17N5S/c1-2-5-14-13(4-1)19-15(22-14)12-20-8-10-21(11-9-20)16-17-6-3-7-18-16/h1-7H,8-12H2/p+1