4-methylbenzenesulfonate; 1-[2-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethoxy]ethyl]pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-[2-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethoxy]ethyl]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-[2-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethoxy]ethyl]pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-[2-[2-[2-[2-(1-pyridin-1-iumyl)ethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-[2-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethoxy]ethyl]pyridin-1-ium Traditional Name: 1-[2-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethoxy]ethyl]pyridin-1-ium ditosylate Formula: C32H40N2O9S2 MolecularWeight: 660.798

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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)CCOCCOCCOCC[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)CCOCCOCCOCC[N+]2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3.2C7H8O3S/c1-3-7-19(8-4-1)11-13-21-15-17-23-18-16-22-14-12-20-9-5-2-6-10-20;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11-18H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2