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

Systemtic Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate perchlorate Openeye Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate perchlorate CAS Name: 4-methylbenzenesulfonic acid 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl ester perchlorate IUPAC Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate perchlorate Traditional Name: 4-methylbenzenesulfonic acid 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl ester perchlorate Formula: C17H22ClNO7S MolecularWeight: 419.87708

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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.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C17H22NO3S.ClHO4/c1-13-5-7-17(8-6-13)22(19,20)21-10-9-18-15(3)11-14(2)12-16(18)4;2-1(3,4)5/h5-8,11-12H,9-10H2,1-4H3;(H,2,3,4,5)/q+1;/p-1