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hexadecyl 3-pyridin-1-ium-1-ylpropanoate chloride

hexadecyl 3-pyridin-1-ium-1-ylpropanoate chloride

Systemtic Name:hexadecyl 3-pyridin-1-ium-1-ylpropanoate chloride
Openeye Name:hexadecyl 3-pyridin-1-ium-1-ylpropanoate chloride
CAS Name:3-(1-pyridin-1-iumyl)propanoic acid hexadecyl ester chloride
IUPAC Name:hexadecyl 3-pyridin-1-ium-1-ylpropanoate chloride
Traditional Name:3-pyridin-1-ium-1-ylpropionic acid cetyl ester chloride
Formula: C24H42ClNO2
MolecularWeight: 412.04878
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C24H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-24(26)19-22-25-20-16-15-17-21-25;/h15-17,20-21H,2-14,18-19,22-23H2,1H3;1H/q+1;/p-1


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