dodecyl-ethyl-dimethyl-azanium; 4-hexoxybenzoate

Systemtic Name: dodecyl-ethyl-dimethyl-azanium; 4-hexoxybenzoate Openeye Name: dodecyl-ethyl-dimethyl-ammonium; 4-hexoxybenzoate CAS Name: dodecyl-ethyl-dimethylammonium; 4-hexoxybenzoate IUPAC Name: dodecyl-ethyl-dimethylazanium; 4-hexoxybenzoate Traditional Name: ethyl-lauryl-dimethyl-ammonium; 4-hexoxybenzoate Formula: C29H53NO3 MolecularWeight: 463.73602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC.CCCCCCOC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC.CCCCCCOC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C16H36N.C13H18O3/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h5-16H2,1-4H3;6-9H,2-5,10H2,1H3,(H,14,15)/q+1;/p-1