hexyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: hexyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate Openeye Name: hexyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid hexyl ester IUPAC Name: hexyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)acetic acid hexyl ester Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-2-3-4-5-9-19-13(17)11-16-8-6-7-12(10-16)14(15)18/h6-8,10H,2-5,9,11H2,1H3,(H-,15,18)/p+1