4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethyl-quinolin-1-ium iodide

Systemtic Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethyl-quinolin-1-ium iodide Openeye Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-ethyl-quinolin-1-ium iodide CAS Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethylquinolin-1-ium iodide IUPAC Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethylquinolin-1-ium iodide Traditional Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-ethyl-quinolin-1-ium iodide Formula: C20H18INO2 MolecularWeight: 431.26689

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC4=C(C=C3)OCO4.[I-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC4=C(C=C3)OCO4.[I-]

InChI

InChI=1S/C20H18NO2.HI/c1-2-21-12-11-16(17-5-3-4-6-18(17)21)9-7-15-8-10-19-20(13-15)23-14-22-19;/h3-13H,2,14H2,1H3;1H/q+1;/p-1/b9-7+;