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

Systemtic Name: [2-azanyl-4-(cyclooctylamino)-6-methyl-pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2-amino-4-(cyclooctylamino)-6-methyl-pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-4-(cyclooctylamino)-6-methyl-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [2-amino-4-(cyclooctylamino)-6-methylpyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2-amino-4-(cyclooctylamino)-6-methyl-pyrimidin-1-ium-1-yl] ester hydroxide Formula: C13H24N4O5S MolecularWeight: 348.41846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)NC2CCCCCCC2.[OH-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)NC2CCCCCCC2.[OH-]

InChI

InChI=1S/C13H22N4O4S.H2O/c1-10-9-12(15-11-7-5-3-2-4-6-8-11)16-13(14)17(10)21-22(18,19)20;/h9,11H,2-8H2,1H3,(H3,14,15,16,18,19,20);1H2