3-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[1-(3-phenylprop-2-ynyl)-1-piperidin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]propane-1-sulfonate Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCCS(=O)(=O)[O-])CC#CC2=CC=CC=C2

Isomeric SMILES

C1CC[N+](CC1)(CCCS(=O)(=O)[O-])CC#CC2=CC=CC=C2

InChI

InChI=1S/C17H23NO3S/c19-22(20,21)16-8-15-18(12-5-2-6-13-18)14-7-11-17-9-3-1-4-10-17/h1,3-4,9-10H,2,5-6,8,12-16H2