(4,6-dimethylpyrimidin-2-yl)-(2-piperazine-1,4-diium-1-ylethyl)azanium trichloride

Systemtic Name: (4,6-dimethylpyrimidin-2-yl)-(2-piperazine-1,4-diium-1-ylethyl)azanium trichloride Openeye Name: (4,6-dimethylpyrimidin-2-yl)-(2-piperazine-1,4-diium-1-ylethyl)ammonium trichloride CAS Name: (4,6-dimethyl-2-pyrimidinyl)-[2-(1-piperazine-1,4-diiumyl)ethyl]ammonium trichloride IUPAC Name: (4,6-dimethylpyrimidin-2-yl)-(2-piperazine-1,4-diium-1-ylethyl)azanium trichloride Traditional Name: (4,6-dimethylpyrimidin-2-yl)-(2-piperazine-1,4-diium-1-ylethyl)ammonium trichloride Formula: C12H24Cl3N5 MolecularWeight: 344.71146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[NH2+]CC[NH+]2CC[NH2+]CC2)C.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=NC(=N1)[NH2+]CC[NH+]2CC[NH2+]CC2)C.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C12H21N5.3ClH/c1-10-9-11(2)16-12(15-10)14-5-8-17-6-3-13-4-7-17;;;/h9,13H,3-8H2,1-2H3,(H,14,15,16);3*1H