3-[dimethyl-(phenylmethyl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dimethyl-(phenylmethyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[benzyl(dimethyl)ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl-(phenylmethyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[benzyl(dimethyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[benzyl(dimethyl)ammonio]propane-1-sulfonate Formula: C12H19NO3S MolecularWeight: 257.34916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCS(=O)(=O)[O-])CC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(CCCS(=O)(=O)[O-])CC1=CC=CC=C1

InChI

InChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3