1-hexadecylpyridin-1-ium; 2-oxidanylbenzoate

Systemtic Name: 1-hexadecylpyridin-1-ium; 2-oxidanylbenzoate Openeye Name: 1-hexadecylpyridin-1-ium; 2-hydroxybenzoate CAS Name: 1-hexadecylpyridin-1-ium; 2-hydroxybenzoate IUPAC Name: 1-hexadecylpyridin-1-ium; 2-hydroxybenzoate Traditional Name: 1-cetylpyridin-1-ium; salicylate Formula: C28H43NO3 MolecularWeight: 441.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C21H38N.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;8-6-4-2-1-3-5(6)7(9)10/h15,17-18,20-21H,2-14,16,19H2,1H3;1-4,8H,(H,9,10)/q+1;/p-1