4-methylbenzenesulfonate; 2-methyl-1-[2-(2-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1-[2-(2-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-1-[2-(2-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-1-[2-(2-methyl-1-pyridin-1-iumyl)ethyl]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1-[2-(2-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium Traditional Name: 2-methyl-1-[2-(2-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium ditosylate Formula: C28H32N2O6S2 MolecularWeight: 556.69348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC=[N+]1CC[N+]2=CC=CC=C2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC=[N+]1CC[N+]2=CC=CC=C2C

InChI

InChI=1S/C14H18N2.2C7H8O3S/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,11-12H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2