hexadecyl-(1-hydroxyethyl)-dimethyl-azanium; 2-oxidanylbenzoate

Systemtic Name: hexadecyl-(1-hydroxyethyl)-dimethyl-azanium; 2-oxidanylbenzoate Openeye Name: hexadecyl-(1-hydroxyethyl)-dimethyl-ammonium; 2-hydroxybenzoate CAS Name: hexadecyl-(1-hydroxyethyl)-dimethylammonium; 2-hydroxybenzoate IUPAC Name: hexadecyl-(1-hydroxyethyl)-dimethylazanium; 2-hydroxybenzoate Traditional Name: cetyl-(1-hydroxyethyl)-dimethyl-ammonium; salicylate Formula: C27H49NO4 MolecularWeight: 451.68226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H44NO.C7H6O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(3,4)20(2)22;8-6-4-2-1-3-5(6)7(9)10/h20,22H,5-19H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1