(2-azanyl-6-octyl-4-pyrrolidin-1-yl-pyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide

Systemtic Name: (2-azanyl-6-octyl-4-pyrrolidin-1-yl-pyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide Openeye Name: (2-amino-6-octyl-4-pyrrolidin-1-yl-pyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-6-octyl-4-(1-pyrrolidinyl)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: (2-amino-6-octyl-4-pyrrolidin-1-ylpyrimidin-1-ium-1-yl) hydrogen sulfate hydroxide Traditional Name: sulfuric acid (2-amino-6-octyl-4-pyrrolidino-pyrimidin-1-ium-1-yl) ester hydroxide Formula: C16H30N4O5S MolecularWeight: 390.4982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCC2.[OH-]

Isomeric SMILES

CCCCCCCCC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCC2.[OH-]

InChI

InChI=1S/C16H28N4O4S.H2O/c1-2-3-4-5-6-7-10-14-13-15(19-11-8-9-12-19)18-16(17)20(14)24-25(21,22)23;/h13,17H,2-12H2,1H3,(H,21,22,23);1H2