2-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methyl-quinolin-1-ium iodide

Systemtic Name: 2-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methyl-quinolin-1-ium iodide Openeye Name: 2-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]vinyl]-1-methyl-quinolin-1-ium iodide CAS Name: 2-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methylquinolin-1-ium iodide IUPAC Name: 2-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methylquinolin-1-ium iodide Traditional Name: 2-[(E)-2-[4-(2,2-dimethoxyethoxy)phenyl]vinyl]-1-methyl-quinolin-1-ium iodide Formula: C22H24INO3 MolecularWeight: 477.33533

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)OCC(OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OCC(OC)OC.[I-]

InChI

InChI=1S/C22H24NO3.HI/c1-23-19(13-11-18-6-4-5-7-21(18)23)12-8-17-9-14-20(15-10-17)26-16-22(24-2)25-3;/h4-15,22H,16H2,1-3H3;1H/q+1;/p-1/b12-8+;