sodium 4-[5-(dimethylamino)pentyl]benzenesulfonate

Systemtic Name: sodium 4-[5-(dimethylamino)pentyl]benzenesulfonate Openeye Name: sodium 4-[5-(dimethylamino)pentyl]benzenesulfonate CAS Name: sodium 4-[5-(dimethylamino)pentyl]benzenesulfonate IUPAC Name: sodium 4-[5-(dimethylamino)pentyl]benzenesulfonate Traditional Name: sodium 4-[5-(dimethylamino)pentyl]besylate Formula: C13H20NNaO3S MolecularWeight: 293.35757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN(C)CCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H21NO3S.Na/c1-14(2)11-5-3-4-6-12-7-9-13(10-8-12)18(15,16)17;/h7-10H,3-6,11H2,1-2H3,(H,15,16,17);/q;+1/p-1