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(5-tridecyloxolan-2-yl)methyl 5-pyridin-1-ium-1-ylpentanoate

(5-tridecyloxolan-2-yl)methyl 5-pyridin-1-ium-1-ylpentanoate

Systemtic Name:(5-tridecyloxolan-2-yl)methyl 5-pyridin-1-ium-1-ylpentanoate
Openeye Name:(5-tridecyltetrahydrofuran-2-yl)methyl 5-pyridin-1-ium-1-ylpentanoate
CAS Name:5-(1-pyridin-1-iumyl)pentanoic acid (5-tridecyl-2-oxolanyl)methyl ester
IUPAC Name:(5-tridecyloxolan-2-yl)methyl 5-pyridin-1-ium-1-ylpentanoate
Traditional Name:5-pyridin-1-ium-1-ylvaleric acid (5-tridecyltetrahydrofuran-2-yl)methyl ester
Formula: C28H48NO3+
MolecularWeight: 446.68562
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CCC(O1)COC(=O)CCCC[N+]2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCCC1CCC(O1)COC(=O)CCCC[N+]2=CC=CC=C2


InChI

InChI=1S/C28H48NO3/c1-2-3-4-5-6-7-8-9-10-11-13-18-26-20-21-27(32-26)25-31-28(30)19-14-17-24-29-22-15-12-16-23-29/h12,15-16,22-23,26-27H,2-11,13-14,17-21,24-25H2,1H3/q+1


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