(3-butyl-2-methyl-tetradecan-2-yl)azanium; butyl sulfate

Systemtic Name: (3-butyl-2-methyl-tetradecan-2-yl)azanium; butyl sulfate Openeye Name: (2-butyl-1,1-dimethyl-tridecyl)ammonium; butyl sulfate CAS Name: (3-butyl-2-methyltetradecan-2-yl)ammonium; butyl sulfate IUPAC Name: (3-butyl-2-methyltetradecan-2-yl)azanium; butyl sulfate Traditional Name: (2-butyl-1,1-dimethyl-tridecyl)ammonium; butyl sulfate Formula: C23H51NO4S MolecularWeight: 437.72034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCC)C(C)(C)[NH3+].CCCCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(CCCC)C(C)(C)[NH3+].CCCCOS(=O)(=O)[O-]

InChI

InChI=1S/C19H41N.C4H10O4S/c1-5-7-9-10-11-12-13-14-15-17-18(16-8-6-2)19(3,4)20;1-2-3-4-8-9(5,6)7/h18H,5-17,20H2,1-4H3;2-4H2,1H3,(H,5,6,7)