3-(3-butylimidazol-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3-butylimidazol-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-butylimidazol-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(3-butyl-1-imidazol-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(3-butylimidazol-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-butylimidazol-1-ium-1-yl)propane-1-sulfonic acid Formula: C10H19N2O3S+ MolecularWeight: 247.33446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CCCS(=O)(=O)O

Isomeric SMILES

CCCCN1C=C[N+](=C1)CCCS(=O)(=O)O

InChI

InChI=1S/C10H18N2O3S/c1-2-3-5-11-7-8-12(10-11)6-4-9-16(13,14)15/h7-8,10H,2-6,9H2,1H3/p+1