1-tert-butyl-4-chloranyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-tert-butyl-4-chloranyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-tert-butyl-4-chloro-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-tert-butyl-4-chloropyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-tert-butyl-4-chloropyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-tert-butyl-4-chloro-pyridin-1-ium tosylate Formula: C16H20ClNO3S MolecularWeight: 341.8529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13ClN.C7H8O3S/c1-9(2,3)11-6-4-8(10)5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1