hexadecyl-methoxy-dimethyl-azanium; 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: hexadecyl-methoxy-dimethyl-azanium; 4-methoxy-2-oxidanyl-benzoate Openeye Name: hexadecyl-methoxy-dimethyl-ammonium; 2-hydroxy-4-methoxy-benzoate CAS Name: hexadecyl-methoxy-dimethylammonium; 2-hydroxy-4-methoxybenzoate IUPAC Name: hexadecyl-methoxy-dimethylazanium; 2-hydroxy-4-methoxybenzoate Traditional Name: cetyl-methoxy-dimethyl-ammonium; 2-hydroxy-4-methoxy-benzoate Formula: C27H49NO5 MolecularWeight: 467.68166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)OC.COC1=CC(=C(C=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)OC.COC1=CC(=C(C=C1)C(=O)[O-])O

InChI

InChI=1S/C19H42NO.C8H8O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)21-4;1-12-5-2-3-6(8(10)11)7(9)4-5/h5-19H2,1-4H3;2-4,9H,1H3,(H,10,11)/q+1;/p-1