2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl ester Formula: C17H22NO3S+ MolecularWeight: 320.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2=C(C=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C17H22NO3S/c1-13-5-7-17(8-6-13)22(19,20)21-10-9-18-15(3)11-14(2)12-16(18)4/h5-8,11-12H,9-10H2,1-4H3/q+1