(2S)-2-(1,3-benzodioxol-5-ylsulfonylmethyl)pyrrolidin-1-ium

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylsulfonylmethyl)pyrrolidin-1-ium Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylsulfonylmethyl)pyrrolidin-1-ium CAS Name: (2S)-2-(1,3-benzodioxol-5-ylsulfonylmethyl)pyrrolidin-1-ium IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylsulfonylmethyl)pyrrolidin-1-ium Traditional Name: (2S)-2-(1,3-benzodioxol-5-ylsulfonylmethyl)pyrrolidin-1-ium Formula: C12H16NO4S+ MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)CS(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[C@H]([NH2+]C1)CS(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H15NO4S/c14-18(15,7-9-2-1-5-13-9)10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9,13H,1-2,5,7-8H2/p+1/t9-/m0/s1