3-[4-(phenylmethyl)pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-(phenylmethyl)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-(4-benzylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-[4-(phenylmethyl)-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-(4-benzylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4-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=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

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