2-[1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[2-(4-acetamidophenoxy)ethyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-14(20)18-16-2-4-17(5-3-16)24-12-11-19-9-6-15(7-10-19)8-13-25(21,22)23/h2-7,9-10H,8,11-13H2,1H3,(H-,18,20,21,22,23)