[2,6-bis(azanyl)-4-(octylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [2,6-bis(azanyl)-4-(octylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2,6-diamino-4-(octylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2,6-diamino-4-(octylamino)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [2,6-diamino-4-(octylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2,6-diamino-4-(octylamino)pyrimidin-1-ium-1-yl] ester hydroxide Formula: C12H25N5O5S MolecularWeight: 351.4224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC(=[N+](C(=N1)N)OS(=O)(=O)O)N.[OH-]

Isomeric SMILES

CCCCCCCCNC1=CC(=[N+](C(=N1)N)OS(=O)(=O)O)N.[OH-]

InChI

InChI=1S/C12H23N5O4S.H2O/c1-2-3-4-5-6-7-8-15-11-9-10(13)17(12(14)16-11)21-22(18,19)20;/h9H,2-8H2,1H3,(H5,13,14,15,16,18,19,20);1H2