[2-acetyloxy-4-[2-(4-methylsulfinylpyridin-1-ium-1-yl)ethyl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[2-(4-methylsulfinylpyridin-1-ium-1-yl)ethyl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[2-(4-methylsulfinylpyridin-1-ium-1-yl)ethyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[2-(4-methylsulfinyl-1-pyridin-1-iumyl)ethyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[2-(4-methylsulfinylpyridin-1-ium-1-yl)ethyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[2-(4-methylsulfinylpyridin-1-ium-1-yl)ethyl]phenyl] ester Formula: C18H20NO5S+ MolecularWeight: 362.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC[N+]2=CC=C(C=C2)S(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CC[N+]2=CC=C(C=C2)S(=O)C)OC(=O)C

InChI

InChI=1S/C18H20NO5S/c1-13(20)23-17-5-4-15(12-18(17)24-14(2)21)6-9-19-10-7-16(8-11-19)25(3)22/h4-5,7-8,10-12H,6,9H2,1-3H3/q+1