2-pyridin-1-ium-1-ylethyl hexadecanoate

Systemtic Name: 2-pyridin-1-ium-1-ylethyl hexadecanoate Openeye Name: 2-pyridin-1-ium-1-ylethyl hexadecanoate CAS Name: hexadecanoic acid 2-(1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-pyridin-1-ium-1-ylethyl hexadecanoate Traditional Name: palmitic acid 2-pyridin-1-ium-1-ylethyl ester Formula: C23H40NO2+ MolecularWeight: 362.5692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-23(25)26-22-21-24-19-16-14-17-20-24/h14,16-17,19-20H,2-13,15,18,21-22H2,1H3/q+1