4-methylbenzenesulfonate; 2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-1-[3-(2-methyl-1-pyridin-1-iumyl)propyl]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium Traditional Name: 2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium ditosylate Formula: C29H34N2O6S2 MolecularWeight: 570.72006

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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+]1CCC[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+]1CCC[N+]2=CC=CC=C2C

InChI

InChI=1S/C15H20N2.2C7H8O3S/c1-14-8-3-5-10-16(14)12-7-13-17-11-6-4-9-15(17)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8-11H,7,12-13H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2