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

Systemtic Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]vinyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]vinyl]-1-methyl-pyridin-1-ium tosylate Formula: C25H29NO6S MolecularWeight: 471.56586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCC(OC)OC

InChI

InChI=1S/C18H22NO3.C7H8O3S/c1-19-12-10-16(11-13-19)5-4-15-6-8-17(9-7-15)22-14-18(20-2)21-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-13,18H,14H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b5-4+;