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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethyl]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonic acid; 1-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethyl]pyridin-1-ium CAS Name: 4-methylbenzenesulfonic acid; 1-[2-[2-[2-(1-pyridin-1-iumyl)ethoxy]ethoxy]ethyl]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonic acid; 1-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethyl]pyridin-1-ium Traditional Name: 1-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethoxy]ethyl]pyridin-1-ium; tosylic acid Formula: C23H30N2O5S+2 MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2.C7H8O3S/c1-3-7-17(8-4-1)11-13-19-15-16-20-14-12-18-9-5-2-6-10-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11-16H2;2-5H,1H3,(H,8,9,10)/q+2;