phenyl 2-pyridin-1-ium-1-ylundecanoate

Systemtic Name: phenyl 2-pyridin-1-ium-1-ylundecanoate Openeye Name: phenyl 2-pyridin-1-ium-1-ylundecanoate CAS Name: 2-(1-pyridin-1-iumyl)undecanoic acid phenyl ester IUPAC Name: phenyl 2-pyridin-1-ium-1-ylundecanoate Traditional Name: 2-pyridin-1-ium-1-ylundecanoic acid phenyl ester Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)OC1=CC=CC=C1)[N+]2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC(C(=O)OC1=CC=CC=C1)[N+]2=CC=CC=C2

InChI

InChI=1S/C22H30NO2/c1-2-3-4-5-6-7-12-17-21(23-18-13-9-14-19-23)22(24)25-20-15-10-8-11-16-20/h8-11,13-16,18-19,21H,2-7,12,17H2,1H3/q+1