(2-azanyl-6-ethyl-4-piperidin-1-yl-pyridin-1-ium-1-yl) hydrogen sulfate hydroxide

Systemtic Name: (2-azanyl-6-ethyl-4-piperidin-1-yl-pyridin-1-ium-1-yl) hydrogen sulfate hydroxide Openeye Name: [2-amino-6-ethyl-4-(1-piperidyl)pyridin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-6-ethyl-4-(1-piperidinyl)-1-pyridin-1-iumyl] ester hydroxide IUPAC Name: (2-amino-6-ethyl-4-piperidin-1-ylpyridin-1-ium-1-yl) hydrogen sulfate hydroxide Traditional Name: sulfuric acid (2-amino-6-ethyl-4-piperidino-pyridin-1-ium-1-yl) ester hydroxide Formula: C12H21N3O5S MolecularWeight: 319.37724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=CC(=C1)N2CCCCC2)N)OS(=O)(=O)O.[OH-]

Isomeric SMILES

CCC1=[N+](C(=CC(=C1)N2CCCCC2)N)OS(=O)(=O)O.[OH-]

InChI

InChI=1S/C12H19N3O4S.H2O/c1-2-10-8-11(14-6-4-3-5-7-14)9-12(13)15(10)19-20(16,17)18;/h8-9,13H,2-7H2,1H3,(H,16,17,18);1H2