3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]propane-1-sulfonate Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCCS(=O)(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C[C@@H]([NH+](C1)CCCS(=O)(=O)[O-])C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H18N2O3S2/c17-21(18,19)10-4-9-16-8-3-6-12(16)14-15-11-5-1-2-7-13(11)20-14/h1-2,5,7,12H,3-4,6,8-10H2,(H,17,18,19)/t12-/m1/s1