(4-ethylphenyl)methyl-dimethyl-octadecyl-azanium sulfate

Systemtic Name: (4-ethylphenyl)methyl-dimethyl-octadecyl-azanium sulfate Openeye Name: (4-ethylphenyl)methyl-dimethyl-octadecyl-ammonium sulfate CAS Name: (4-ethylphenyl)methyl-dimethyl-octadecylammonium sulfate IUPAC Name: (4-ethylphenyl)methyl-dimethyl-octadecylazanium sulfate Traditional Name: (4-ethylbenzyl)-dimethyl-stearyl-ammonium sulfate Formula: C29H54NO4S- MolecularWeight: 512.80836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)CC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)CC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C29H54N.H2O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-30(3,4)27-29-24-22-28(6-2)23-25-29;1-5(2,3)4/h22-25H,5-21,26-27H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2