3-(4,8b-dihydro-3H-[1,2]oxazireno[3,2-a]isoquinolin-2-ium-2-yl)propane-1-sulfonate

Systemtic Name: 3-(4,8b-dihydro-3H-[1,2]oxazireno[3,2-a]isoquinolin-2-ium-2-yl)propane-1-sulfonate Openeye Name: 3-(4,8b-dihydro-3H-oxazireno[3,2-a]isoquinolin-2-ium-2-yl)propane-1-sulfonate CAS Name: 3-(4,8b-dihydro-3H-oxazirino[3,2-a]isoquinolin-2-ium-2-yl)-1-propanesulfonate IUPAC Name: 3-(4,8b-dihydro-3H-oxazireno[3,2-a]isoquinolin-2-ium-2-yl)propane-1-sulfonate Traditional Name: 3-(4,8b-dihydro-3H-oxazirin[3,2-a]isoquinolin-2-ium-2-yl)propane-1-sulfonate Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(C(O2)C3=CC=CC=C31)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1C[N+]2(C(O2)C3=CC=CC=C31)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H15NO4S/c14-18(15,16)9-3-7-13-8-6-10-4-1-2-5-11(10)12(13)17-13/h1-2,4-5,12H,3,6-9H2