dimethyl(tetradecyl)azanium; propane; sulfate

Systemtic Name: dimethyl(tetradecyl)azanium; propane; sulfate Openeye Name: dimethyl(tetradecyl)ammonium; propane; sulfate CAS Name: dimethyl(tetradecyl)ammonium; propane; sulfate IUPAC Name: dimethyl(tetradecyl)azanium; propane; sulfate Traditional Name: dimethyl(myristyl)ammonium; n-propane; sulfate Formula: C35H80N2O4S MolecularWeight: 625.0857

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCC[NH+](C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC.CCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCC[NH+](C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C16H35N.C3H8.H2O4S/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-3-2;1-5(2,3)4/h2*4-16H2,1-3H3;3H2,1-2H3;(H2,1,2,3,4)