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hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propanoic acid

hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propanoic acid

Systemtic Name:hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propanoic acid
Openeye Name:hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propanoic acid
CAS Name:hydrogen sulfate; 3-(3-methyl-1-imidazol-3-iumyl)propanoic acid
IUPAC Name:hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propanoic acid
Traditional Name:3-(3-methylimidazol-3-ium-1-yl)propionic acid bisulfate
Formula: C7H12N2O6S
MolecularWeight: 252.24498
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C7H10N2O2.H2O4S/c1-8-4-5-9(6-8)3-2-7(10)11;1-5(2,3)4/h4-6H,2-3H2,1H3;(H2,1,2,3,4)


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