2,6-bis[2-(4-methoxyphenyl)ethenyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2,6-bis[2-(4-methoxyphenyl)ethenyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2,6-bis[2-(4-methoxyphenyl)vinyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2,6-bis[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2,6-bis[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2,6-bis[2-(4-methoxyphenyl)vinyl]-1-methyl-pyridin-1-ium tosylate Formula: C31H31NO5S MolecularWeight: 529.64654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(C=CC=C1C=CC2=CC=C(C=C2)OC)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(C=CC=C1C=CC2=CC=C(C=C2)OC)C=CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H24NO2.C7H8O3S/c1-25-21(13-7-19-9-15-23(26-2)16-10-19)5-4-6-22(25)14-8-20-11-17-24(27-3)18-12-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-18H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1