1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: 1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxylate Openeye Name: 1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(4-acetamidophenoxy)ethyl]-3-pyridin-1-iumcarboxylate IUPAC Name: 1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxylate Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC[N+]2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCC[N+]2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-12(19)17-14-4-6-15(7-5-14)22-10-9-18-8-2-3-13(11-18)16(20)21/h2-8,11H,9-10H2,1H3,(H-,17,19,20,21)