hexyl 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: hexyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: hexyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid hexyl ester IUPAC Name: hexyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid hexyl ester Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20NO2/c1-2-3-4-8-11-16-13(15)12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-12H2,1H3/q+1