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2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate

2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate

Systemtic Name:2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate
Openeye Name:2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate
CAS Name:6-(1-pyridin-1-iumyl)hexanoic acid 2-(hexadecoxymethyl)pentyl ester
IUPAC Name:2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate
Traditional Name:6-pyridin-1-ium-1-ylhexanoic acid 2-(cetyloxymethyl)pentyl ester
Formula: C33H60NO3+
MolecularWeight: 518.8344
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCC)COC(=O)CCCCC[N+]1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCC)COC(=O)CCCCC[N+]1=CC=CC=C1


InChI

InChI=1S/C33H60NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-29-36-30-32(24-4-2)31-37-33(35)25-19-17-20-26-34-27-21-18-22-28-34/h18,21-22,27-28,32H,3-17,19-20,23-26,29-31H2,1-2H3/q+1


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