[6-azanyl-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [6-azanyl-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [6-amino-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [6-amino-2-ethyl-4-(3-methyl-1-azetidinyl)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [6-amino-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [6-amino-2-ethyl-4-(3-methylazetidin-1-yl)pyrimidin-1-ium-1-yl] ester hydroxide Formula: C10H18N4O5S MolecularWeight: 306.33872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)N2CC(C2)C.[OH-]

Isomeric SMILES

CCC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)N2CC(C2)C.[OH-]

InChI

InChI=1S/C10H16N4O4S.H2O/c1-3-9-12-10(13-5-7(2)6-13)4-8(11)14(9)18-19(15,16)17;/h4,7,11H,3,5-6H2,1-2H3,(H,15,16,17);1H2