2-pyridin-1-ium-1-ylhexadecanoate

Systemtic Name: 2-pyridin-1-ium-1-ylhexadecanoate Openeye Name: 2-pyridin-1-ium-1-ylhexadecanoate CAS Name: 2-(1-pyridin-1-iumyl)hexadecanoate IUPAC Name: 2-pyridin-1-ium-1-ylhexadecanoate Traditional Name: 2-pyridin-1-ium-1-ylpalmitate Formula: C21H35NO2 MolecularWeight: 333.5081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(21(23)24)22-18-15-13-16-19-22/h13,15-16,18-20H,2-12,14,17H2,1H3