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

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-ethyl-quinolin-1-ium iodide Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-ethyl-quinolin-1-ium iodide CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-ethylquinolin-1-ium iodide IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-ethylquinolin-1-ium iodide Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-ethyl-quinolin-1-ium iodide Formula: C21H22INO2 MolecularWeight: 447.30935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO2.HI/c1-4-22-18(13-11-17-7-5-6-8-19(17)22)12-9-16-10-14-20(23-2)21(15-16)24-3;/h5-15H,4H2,1-3H3;1H/q+1;/p-1/b12-9+;