4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(3-hexyl-1-imidazol-3-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid Formula: C13H25N2O3S+ MolecularWeight: 289.4142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CN(C=C1)CCCCS(=O)(=O)O

Isomeric SMILES

CCCCCC[N+]1=CN(C=C1)CCCCS(=O)(=O)O

InChI

InChI=1S/C13H24N2O3S/c1-2-3-4-5-8-14-10-11-15(13-14)9-6-7-12-19(16,17)18/h10-11,13H,2-9,12H2,1H3/p+1