dodecyl(trimethyl)azanium; 3-nitrobenzenesulfonic acid

Systemtic Name: dodecyl(trimethyl)azanium; 3-nitrobenzenesulfonic acid Openeye Name: dodecyl(trimethyl)ammonium; 3-nitrobenzenesulfonic acid CAS Name: dodecyl(trimethyl)ammonium; 3-nitrobenzenesulfonic acid IUPAC Name: dodecyl(trimethyl)azanium; 3-nitrobenzenesulfonic acid Traditional Name: lauryl(trimethyl)ammonium; 3-nitrobesylic acid Formula: C21H39N2O5S+ MolecularWeight: 431.60976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H34N.C6H5NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h5-15H2,1-4H3;1-4H,(H,10,11,12)/q+1;