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

Systemtic Name: 2-pyridin-1-ium-1-ylethyl hexadecanoate bromide Openeye Name: 2-pyridin-1-ium-1-ylethyl hexadecanoate bromide CAS Name: hexadecanoic acid 2-(1-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: 2-pyridin-1-ium-1-ylethyl hexadecanoate bromide Traditional Name: palmitic acid 2-pyridin-1-ium-1-ylethyl ester bromide Formula: C23H40BrNO2 MolecularWeight: 442.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO2.BrH/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;1H/q+1;/p-1