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

Systemtic Name: 2-[1-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonic acid Openeye Name: 2-[1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]pyridin-1-ium-4-yl]ethanesulfonic acid CAS Name: 2-[1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-[3-(4-acetylphenoxy)-2-hydroxypropyl]pyridin-1-ium-4-yl]ethanesulfonic acid Traditional Name: 2-[1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]pyridin-1-ium-4-yl]ethanesulfonic acid Formula: C18H22NO6S+ MolecularWeight: 380.43538

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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/p+1