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3-pyridin-1-ium-1-ylpropyl hexadecanoate chloride

3-pyridin-1-ium-1-ylpropyl hexadecanoate chloride

Systemtic Name:3-pyridin-1-ium-1-ylpropyl hexadecanoate chloride
Openeye Name:3-pyridin-1-ium-1-ylpropyl hexadecanoate chloride
CAS Name:hexadecanoic acid 3-(1-pyridin-1-iumyl)propyl ester chloride
IUPAC Name:3-pyridin-1-ium-1-ylpropyl hexadecanoate chloride
Traditional Name:palmitic acid 3-pyridin-1-ium-1-ylpropyl ester chloride
Formula: C24H42ClNO2
MolecularWeight: 412.04878
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C24H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-24(26)27-23-18-22-25-20-16-14-17-21-25;/h14,16-17,20-21H,2-13,15,18-19,22-23H2,1H3;1H/q+1;/p-1


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