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

Systemtic Name: [2-azanyl-4-(azetidin-1-yl)-6-methyl-pyridin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2-amino-4-(azetidin-1-yl)-6-methyl-pyridin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-4-(1-azetidinyl)-6-methyl-1-pyridin-1-iumyl] ester hydroxide IUPAC Name: [2-amino-4-(azetidin-1-yl)-6-methylpyridin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2-amino-4-(azetidin-1-yl)-6-methyl-pyridin-1-ium-1-yl] ester hydroxide Formula: C9H15N3O5S MolecularWeight: 277.2975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC(=C1)N2CCC2)N)OS(=O)(=O)O.[OH-]

Isomeric SMILES

CC1=[N+](C(=CC(=C1)N2CCC2)N)OS(=O)(=O)O.[OH-]

InChI

InChI=1S/C9H13N3O4S.H2O/c1-7-5-8(11-3-2-4-11)6-9(10)12(7)16-17(13,14)15;/h5-6,10H,2-4H2,1H3,(H,13,14,15);1H2