2-[(E)-2-(5-bromanyl-2-methoxy-phenyl)ethenyl]-1-ethyl-quinolin-1-ium iodide

Systemtic Name: 2-[(E)-2-(5-bromanyl-2-methoxy-phenyl)ethenyl]-1-ethyl-quinolin-1-ium iodide Openeye Name: 2-[(E)-2-(5-bromo-2-methoxy-phenyl)vinyl]-1-ethyl-quinolin-1-ium iodide CAS Name: 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-1-ethylquinolin-1-ium iodide IUPAC Name: 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-1-ethylquinolin-1-ium iodide Traditional Name: 2-[(E)-2-(5-bromo-2-methoxy-phenyl)vinyl]-1-ethyl-quinolin-1-ium iodide Formula: C20H19BrINO MolecularWeight: 496.17943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrNO.HI/c1-3-22-18(11-8-15-6-4-5-7-19(15)22)12-9-16-14-17(21)10-13-20(16)23-2;/h4-14H,3H2,1-2H3;1H/q+1;/p-1/b12-9+;