4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]butane-1-sulfonate Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S2/c18-22(19,20)11-4-3-9-17-10-5-7-13(17)15-16-12-6-1-2-8-14(12)21-15/h1-2,6,8,13H,3-5,7,9-11H2,(H,18,19,20)/t13-/m1/s1