4-[(E)-2-[4-(2,2-dimethoxybutoxy)phenyl]ethenyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-[(E)-2-[4-(2,2-dimethoxybutoxy)phenyl]ethenyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-[(E)-2-[4-(2,2-dimethoxybutoxy)phenyl]vinyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-[(E)-2-[4-(2,2-dimethoxybutoxy)phenyl]ethenyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-[(E)-2-[4-(2,2-dimethoxybutoxy)phenyl]ethenyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-[(E)-2-[4-(2,2-dimethoxybutoxy)phenyl]vinyl]-1-methyl-pyridin-1-ium tosylate Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C)(OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(COC1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C)(OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26NO3.C7H8O3S/c1-5-20(22-3,23-4)16-24-19-10-8-17(9-11-19)6-7-18-12-14-21(2)15-13-18;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,5,16H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b7-6+;