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

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(3-methyl-1-imidazol-3-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid Formula: C7H13N2O3S+ MolecularWeight: 205.25472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O3S/c1-8-4-5-9(7-8)3-2-6-13(10,11)12/h4-5,7H,2-3,6H2,1H3/p+1