4-methylbenzenesulfonate; 2-quinolin-1-ium-1-ylethanol

Systemtic Name: 4-methylbenzenesulfonate; 2-quinolin-1-ium-1-ylethanol Openeye Name: 4-methylbenzenesulfonate; 2-quinolin-1-ium-1-ylethanol CAS Name: 4-methylbenzenesulfonate; 2-(1-quinolin-1-iumyl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 2-quinolin-1-ium-1-ylethanol Traditional Name: 2-quinolin-1-ium-1-ylethanol tosylate Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[N+]2CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[N+]2CCO

InChI

InChI=1S/C11H12NO.C7H8O3S/c13-9-8-12-7-3-5-10-4-1-2-6-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,13H,8-9H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1