2-[1-[2-oxidanylidene-2-(pyridin-1-ium-3-ylamino)ethyl]cyclopentyl]ethanoate

Systemtic Name: 2-[1-[2-oxidanylidene-2-(pyridin-1-ium-3-ylamino)ethyl]cyclopentyl]ethanoate Openeye Name: 2-[1-[2-oxo-2-(pyridin-1-ium-3-ylamino)ethyl]cyclopentyl]acetate CAS Name: 2-[1-[2-oxo-2-(3-pyridin-1-iumylamino)ethyl]cyclopentyl]acetate IUPAC Name: 2-[1-[2-oxo-2-(pyridin-1-ium-3-ylamino)ethyl]cyclopentyl]acetate Traditional Name: 2-[1-[2-keto-2-(pyridin-1-ium-3-ylamino)ethyl]cyclopentyl]acetate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)NC2=C[NH+]=CC=C2)CC(=O)[O-]

Isomeric SMILES

C1CCC(C1)(CC(=O)NC2=C[NH+]=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c17-12(16-11-4-3-7-15-10-11)8-14(9-13(18)19)5-1-2-6-14/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,17)(H,18,19)