hydrogen sulfate; (2S)-1-pyridin-1-ium-1-ylpropan-2-ol

Systemtic Name: hydrogen sulfate; (2S)-1-pyridin-1-ium-1-ylpropan-2-ol Openeye Name: hydrogen sulfate; (2S)-1-pyridin-1-ium-1-ylpropan-2-ol CAS Name: hydrogen sulfate; (2S)-1-(1-pyridin-1-iumyl)-2-propanol IUPAC Name: hydrogen sulfate; (2S)-1-pyridin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-pyridin-1-ium-1-ylpropan-2-ol bisulfate Formula: C8H13NO5S MolecularWeight: 235.25752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CC=CC=C1)O.OS(=O)(=O)[O-]

Isomeric SMILES

C[C@@H](C[N+]1=CC=CC=C1)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C8H12NO.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8,10H,7H2,1H3;(H2,1,2,3,4)/q+1;/p-1/t8-;/m0./s1