3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)propane-1-sulfonate

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)propane-1-sulfonate Openeye Name: 3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)propane-1-sulfonate CAS Name: 3-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-1-propanesulfonate IUPAC Name: 3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)propane-1-sulfonate Traditional Name: 3-(2-imidazolin-1-ium-2-ylthio)propane-1-sulfonate Formula: C6H12N2O3S2 MolecularWeight: 224.30108

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SCCCS(=O)(=O)[O-]

Isomeric SMILES

C1C[NH+]=C(N1)SCCCS(=O)(=O)[O-]

InChI

InChI=1S/C6H12N2O3S2/c9-13(10,11)5-1-4-12-6-7-2-3-8-6/h1-5H2,(H,7,8)(H,9,10,11)