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

Systemtic Name: hydrogen sulfate; (2S)-1-(3-octylimidazol-1-ium-1-yl)propan-2-ol Openeye Name: hydrogen sulfate; (2S)-1-(3-octylimidazol-1-ium-1-yl)propan-2-ol CAS Name: hydrogen sulfate; (2S)-1-(3-octyl-1-imidazol-1-iumyl)-2-propanol IUPAC Name: hydrogen sulfate; (2S)-1-(3-octylimidazol-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3-octylimidazol-1-ium-1-yl)propan-2-ol bisulfate Formula: C14H28N2O5S MolecularWeight: 336.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)CC(C)O.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)C[C@H](C)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C14H27N2O.H2O4S/c1-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(2)17;1-5(2,3)4/h10-11,13-14,17H,3-9,12H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1/t14-;/m0./s1