4-methylbenzenesulfonate; 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-[2-(1-pyridin-1-iumyl)ethyl]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium Traditional Name: 1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium ditosylate Formula: C26H28N2O6S2 MolecularWeight: 528.64032

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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-].C1=CC=[N+](C=C1)CC[N+]2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C=C1)CC[N+]2=CC=CC=C2

InChI

InChI=1S/C12H14N2.2C7H8O3S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11-12H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2