2-[1-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-[3-(4-acetylphenoxy)-2-hydroxypropyl]pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]pyridin-1-ium-4-yl]ethanesulfonate Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-14(20)16-2-4-18(5-3-16)25-13-17(21)12-19-9-6-15(7-10-19)8-11-26(22,23)24/h2-7,9-10,17,21H,8,11-13H2,1H3