4-methylbenzenesulfonic acid; 2-(2-pyridin-1-ium-1-ylethoxy)ethanol

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(2-pyridin-1-ium-1-ylethoxy)ethanol Openeye Name: 4-methylbenzenesulfonic acid; 2-(2-pyridin-1-ium-1-ylethoxy)ethanol CAS Name: 4-methylbenzenesulfonic acid; 2-[2-(1-pyridin-1-iumyl)ethoxy]ethanol IUPAC Name: 4-methylbenzenesulfonic acid; 2-(2-pyridin-1-ium-1-ylethoxy)ethanol Traditional Name: 2-(2-pyridin-1-ium-1-ylethoxy)ethanol; tosylic acid Formula: C16H22NO5S+ MolecularWeight: 340.41458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=[N+](C=C1)CCOCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=[N+](C=C1)CCOCCO

InChI

InChI=1S/C9H14NO2.C7H8O3S/c11-7-9-12-8-6-10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11H,6-9H2;2-5H,1H3,(H,8,9,10)/q+1;