dodecyl(trimethyl)azanium; 3-nitrobenzenesulfonate

Systemtic Name: dodecyl(trimethyl)azanium; 3-nitrobenzenesulfonate Openeye Name: dodecyl(trimethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: dodecyl(trimethyl)ammonium; 3-nitrobenzenesulfonate IUPAC Name: dodecyl(trimethyl)azanium; 3-nitrobenzenesulfonate Traditional Name: lauryl(trimethyl)ammonium; 3-nitrobesylate Formula: C21H38N2O5S MolecularWeight: 430.60182

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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;/p-1