1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylate chloride

Systemtic Name: 1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylate chloride Openeye Name: 1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylate chloride CAS Name: 1-ethyl-1-[1-(1-oxohexadecoxy)ethyl]-2H-pyridin-1-ium-3-carboxylate chloride IUPAC Name: 1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylate chloride Traditional Name: 1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylate chloride Formula: C26H45ClNO4- MolecularWeight: 471.0928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO4.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25(28)31-23(3)27(5-2)21-18-19-24(22-27)26(29)30;/h18-19,21,23H,4-17,20,22H2,1-3H3;1H/p-1