[2-azanyl-4-(azepan-1-yl)-6-methyl-pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [2-azanyl-4-(azepan-1-yl)-6-methyl-pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2-amino-4-(azepan-1-yl)-6-methyl-pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-4-(1-azepanyl)-6-methyl-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [2-amino-4-(azepan-1-yl)-6-methylpyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2-amino-4-(azepan-1-yl)-6-methyl-pyrimidin-1-ium-1-yl] ester hydroxide Formula: C11H20N4O5S MolecularWeight: 320.3653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCCC2.[OH-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCCC2.[OH-]

InChI

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