12-[2-[dimethyl(propyl)azaniumyl]phenyl]dodecane-3-sulfonate

Systemtic Name: 12-[2-[dimethyl(propyl)azaniumyl]phenyl]dodecane-3-sulfonate Openeye Name: 12-[2-[dimethyl(propyl)ammonio]phenyl]dodecane-3-sulfonate CAS Name: 12-[2-[dimethyl(propyl)ammonio]phenyl]-3-dodecanesulfonate IUPAC Name: 12-[2-[dimethyl(propyl)azaniumyl]phenyl]dodecane-3-sulfonate Traditional Name: 12-[2-[dimethyl(propyl)ammonio]phenyl]dodecane-3-sulfonate Formula: C23H41NO3S MolecularWeight: 411.64154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C1=CC=CC=C1CCCCCCCCCC(CC)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+](C)(C)C1=CC=CC=C1CCCCCCCCCC(CC)S(=O)(=O)[O-]

InChI

InChI=1S/C23H41NO3S/c1-5-20-24(3,4)23-19-15-14-17-21(23)16-12-10-8-7-9-11-13-18-22(6-2)28(25,26)27/h14-15,17,19,22H,5-13,16,18,20H2,1-4H3