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

Systemtic Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(3-methyl-1-imidazol-3-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid Formula: C8H15N2O3S+ MolecularWeight: 219.2813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O3S/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13/h5-6,8H,2-4,7H2,1H3/p+1