1-octadecylpyridin-1-ium-4-carboxylic acid

Systemtic Name: 1-octadecylpyridin-1-ium-4-carboxylic acid Openeye Name: 1-octadecylpyridin-1-ium-4-carboxylic acid CAS Name: 1-octadecyl-4-pyridin-1-iumcarboxylic acid IUPAC Name: 1-octadecylpyridin-1-ium-4-carboxylic acid Traditional Name: 1-stearylpyridin-1-ium-4-carboxylic acid Formula: C24H42NO2+ MolecularWeight: 376.59578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-23(19-22-25)24(26)27/h18-19,21-22H,2-17,20H2,1H3/p+1