(2S)-1-(3-butylimidazol-1-ium-1-yl)propan-2-ol; hydrogen sulfate

Systemtic Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)propan-2-ol; hydrogen sulfate Openeye Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)propan-2-ol; hydrogen sulfate CAS Name: (2S)-1-(3-butyl-1-imidazol-1-iumyl)-2-propanol; hydrogen sulfate IUPAC Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)propan-2-ol; hydrogen sulfate Traditional Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)propan-2-ol bisulfate Formula: C10H20N2O5S MolecularWeight: 280.3412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC(C)O.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@H](C)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C10H19N2O.H2O4S/c1-3-4-5-11-6-7-12(9-11)8-10(2)13;1-5(2,3)4/h6-7,9-10,13H,3-5,8H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1/t10-;/m0./s1