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

Systemtic Name: [2-azanyl-4-(azetidin-1-yl)-6-methyl-pyridin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-4-(azetidin-1-yl)-6-methyl-pyridin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-(1-azetidinyl)-6-methyl-1-pyridin-1-iumyl] ester IUPAC Name: [2-amino-4-(azetidin-1-yl)-6-methylpyridin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-4-(azetidin-1-yl)-6-methyl-pyridin-1-ium-1-yl] ester Formula: C9H14N3O4S+ MolecularWeight: 260.29016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4S/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)/p+1