dodecyl(2-phenylpropan-2-yl)azanium ethanoate

Systemtic Name: dodecyl(2-phenylpropan-2-yl)azanium ethanoate Openeye Name: dodecyl-(1-methyl-1-phenyl-ethyl)ammonium acetate CAS Name: dodecyl(2-phenylpropan-2-yl)ammonium acetate IUPAC Name: dodecyl(2-phenylpropan-2-yl)azanium acetate Traditional Name: cumyl(lauryl)ammonium acetate Formula: C23H41NO2 MolecularWeight: 363.57714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH2+]C(C)(C)C1=CC=CC=C1.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[NH2+]C(C)(C)C1=CC=CC=C1.CC(=O)[O-]

InChI

InChI=1S/C21H37N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-16-19-22-21(2,3)20-17-14-13-15-18-20;1-2(3)4/h13-15,17-18,22H,4-12,16,19H2,1-3H3;1H3,(H,3,4)