1-hex-1-en-2-ylpyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-hex-1-en-2-ylpyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; 1-(1-methylenepentyl)pyridin-1-ium CAS Name: 1-hex-1-en-2-ylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-hex-1-en-2-ylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(1-butylvinyl)pyridin-1-ium tosylate Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N.C7H8O3S/c1-3-4-8-11(2)12-9-6-5-7-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,9-10H,2-4,8H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1