3-[3-(phenylmethyl)pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[3-(phenylmethyl)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-(3-benzylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-(3-benzylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3-benzylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H17NO3S/c17-20(18,19)11-5-10-16-9-4-8-15(13-16)12-14-6-2-1-3-7-14/h1-4,6-9,13H,5,10-12H2