dodecyl(dimethyl)azanium; 4-hexoxybenzoate

Systemtic Name: dodecyl(dimethyl)azanium; 4-hexoxybenzoate Openeye Name: dodecyl(dimethyl)ammonium; 4-hexoxybenzoate CAS Name: dodecyl(dimethyl)ammonium; 4-hexoxybenzoate IUPAC Name: dodecyl(dimethyl)azanium; 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoate; lauryl(dimethyl)ammonium Formula: C27H49NO3 MolecularWeight: 435.68286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H31N.C13H18O3/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h4-14H2,1-3H3;6-9H,2-5,10H2,1H3,(H,14,15)