1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-1-[1-(1-oxohexadecoxy)ethyl]-2H-pyridin-1-ium-3-carboxylic acid IUPAC Name: 1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-1-(1-hexadecanoyloxyethyl)-2H-pyridin-1-ium-3-carboxylic acid Formula: C26H46NO4+ MolecularWeight: 436.64774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO4/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/p+1