1-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium iodide

Systemtic Name: 1-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium iodide Openeye Name: 1-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]quinolin-1-ium iodide CAS Name: 1-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium iodide IUPAC Name: 1-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium iodide Traditional Name: 1-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]quinolin-1-ium iodide Formula: C21H22INO3 MolecularWeight: 463.30875

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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)OC)OC)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO3.HI/c1-22-17(12-10-16-7-5-6-8-18(16)22)11-9-15-13-19(23-2)21(25-4)20(14-15)24-3;/h5-14H,1-4H3;1H/q+1;/p-1/b11-9+;