2-(2-methyl-2,5-dihydro-1,3-thiazol-3-ium-3-yl)-2-pyridin-1-ium-1-yl-ethanol sulfate

Systemtic Name: 2-(2-methyl-2,5-dihydro-1,3-thiazol-3-ium-3-yl)-2-pyridin-1-ium-1-yl-ethanol sulfate Openeye Name: 2-(2-methyl-2,5-dihydrothiazol-3-ium-3-yl)-2-pyridin-1-ium-1-yl-ethanol sulfate CAS Name: 2-(2-methyl-2,5-dihydrothiazol-3-ium-3-yl)-2-(1-pyridin-1-iumyl)ethanol sulfate IUPAC Name: 2-(2-methyl-2,5-dihydro-1,3-thiazol-3-ium-3-yl)-2-pyridin-1-ium-1-ylethanol sulfate Traditional Name: 2-(2-methyl-3-thiazolin-3-ium-3-yl)-2-pyridin-1-ium-1-yl-ethanol sulfate Formula: C11H16N2O5S2 MolecularWeight: 320.38514

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Descriptors Computed from Structure

Canonical SMILES:

CC1[N+](=CCS1)C(CO)[N+]2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1[N+](=CCS1)C(CO)[N+]2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C11H16N2OS.H2O4S/c1-10-13(7-8-15-10)11(9-14)12-5-3-2-4-6-12;1-5(2,3)4/h2-7,10-11,14H,8-9H2,1H3;(H2,1,2,3,4)/q+2;/p-2