diethyl-hexadecyl-(phenylmethyl)azanium; methyl sulfate

Systemtic Name: diethyl-hexadecyl-(phenylmethyl)azanium; methyl sulfate Openeye Name: benzyl-diethyl-hexadecyl-ammonium; methyl sulfate CAS Name: diethyl-hexadecyl-(phenylmethyl)ammonium; methyl sulfate IUPAC Name: benzyl-diethyl-hexadecylazanium; methyl sulfate Traditional Name: benzyl-cetyl-diethyl-ammonium; methyl sulfate Formula: C28H53NO4S MolecularWeight: 499.78972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CC)(CC)CC1=CC=CC=C1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CC)(CC)CC1=CC=CC=C1.COS(=O)(=O)[O-]

InChI

InChI=1S/C27H50N.CH4O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(5-2,6-3)26-27-23-20-19-21-24-27;1-5-6(2,3)4/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1