tridecyl 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: tridecyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: tridecyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid tridecyl ester IUPAC Name: tridecyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid tridecyl ester Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C[N+]1=CC=CC=C1

InChI

InChI=1S/C20H34NO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-23-20(22)19-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-19H2,1H3/q+1