hexadecyl-bis(1-hydroxyethyl)-methyl-azanium; 2-oxidanylbenzoate

Systemtic Name: hexadecyl-bis(1-hydroxyethyl)-methyl-azanium; 2-oxidanylbenzoate Openeye Name: hexadecyl-bis(1-hydroxyethyl)-methyl-ammonium; 2-hydroxybenzoate CAS Name: hexadecyl-bis(1-hydroxyethyl)-methylammonium; 2-hydroxybenzoate IUPAC Name: hexadecyl-bis(1-hydroxyethyl)-methylazanium; 2-hydroxybenzoate Traditional Name: cetyl-bis(1-hydroxyethyl)-methyl-ammonium; salicylate Formula: C28H51NO5 MolecularWeight: 481.70824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46NO2.C7H6O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4,20(2)23)21(3)24;8-6-4-2-1-3-5(6)7(9)10/h20-21,23-24H,5-19H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1