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

Systemtic Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-ethyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]vinyl]-1-ethyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-ethylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-ethylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]vinyl]-1-ethyl-pyridin-1-ium tosylate Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24NO3.C7H8O3S/c1-4-20-13-11-17(12-14-20)6-5-16-7-9-18(10-8-16)23-15-19(21-2)22-3;1-6-2-4-7(5-3-6)11(8,9)10/h5-14,19H,4,15H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b6-5+;