(4-azanyl-3-methyl-phenyl)-didodecyl-ethyl-azanium sulfate

Systemtic Name: (4-azanyl-3-methyl-phenyl)-didodecyl-ethyl-azanium sulfate Openeye Name: (4-amino-3-methyl-phenyl)-didodecyl-ethyl-ammonium sulfate CAS Name: (4-amino-3-methylphenyl)-didodecyl-ethylammonium sulfate IUPAC Name: (4-amino-3-methylphenyl)-didodecyl-ethylazanium sulfate Traditional Name: (4-amino-3-methyl-phenyl)-ethyl-dilauryl-ammonium sulfate Formula: C33H63N2O4S- MolecularWeight: 583.92932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H63N2.H2O4S/c1-5-8-10-12-14-16-18-20-22-24-28-35(7-3,32-26-27-33(34)31(4)30-32)29-25-23-21-19-17-15-13-11-9-6-2;1-5(2,3)4/h26-27,30H,5-25,28-29,34H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2