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

Systemtic Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propane-1-sulfonate Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S2/c18-22(19,20)11-5-10-17-9-4-3-7-13(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