1-butylquinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-butylquinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-butylquinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-butylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-butylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-butylquinolin-1-ium tosylate Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC2=CC=CC=C21.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=CC=CC2=CC=CC=C21.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H16N.C7H8O3S/c1-2-3-10-14-11-6-8-12-7-4-5-9-13(12)14;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11H,2-3,10H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1