N-[2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)ethyl]hexadecanamide chloride

Systemtic Name: N-[2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)ethyl]hexadecanamide chloride Openeye Name: N-[2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)ethyl]hexadecanamide chloride CAS Name: N-[2-(2,4-dimethyl-6-tetradecyl-1-pyridin-1-iumyl)ethyl]hexadecanamide chloride IUPAC Name: N-[2-(2,4-dimethyl-6-tetradecylpyridin-1-ium-1-yl)ethyl]hexadecanamide chloride Traditional Name: N-[2-(2,4-dimethyl-6-myristyl-pyridin-1-ium-1-yl)ethyl]palmitamide chloride Formula: C39H73ClN2O MolecularWeight: 621.46272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC[N+]1=C(C=C(C=C1CCCCCCCCCCCCCC)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCC[N+]1=C(C=C(C=C1CCCCCCCCCCCCCC)C)C.[Cl-]

InChI

InChI=1S/C39H72N2O.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(42)40-32-33-41-37(4)34-36(3)35-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h34-35H,5-33H2,1-4H3;1H