(2-azanyl-6-ethyl-4-piperidin-1-yl-pyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide

Systemtic Name: (2-azanyl-6-ethyl-4-piperidin-1-yl-pyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide Openeye Name: [2-amino-6-ethyl-4-(1-piperidyl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-6-ethyl-4-(1-piperidinyl)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: (2-amino-6-ethyl-4-piperidin-1-ylpyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide Traditional Name: sulfuric acid (2-amino-6-ethyl-4-piperidino-pyrimidin-1-ium-1-yl) ester hydroxide Formula: C11H20N4O5S MolecularWeight: 320.3653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCC2.[OH-]

Isomeric SMILES

CCC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCC2.[OH-]

InChI

InChI=1S/C11H18N4O4S.H2O/c1-2-9-8-10(14-6-4-3-5-7-14)13-11(12)15(9)19-20(16,17)18;/h8,12H,2-7H2,1H3,(H,16,17,18);1H2