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

Systemtic Name: 1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-carboxylate Openeye Name: 1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[3-(4-acetamidophenoxy)propyl]-4-pyridin-1-iumcarboxylate IUPAC Name: 1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-carboxylate Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-13(20)18-15-3-5-16(6-4-15)23-12-2-9-19-10-7-14(8-11-19)17(21)22/h3-8,10-11H,2,9,12H2,1H3,(H-,18,20,21,22)