1-methyl-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium iodide

Systemtic Name: 1-methyl-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium iodide Openeye Name: 2-[(E)-2-(4-benzyloxyphenyl)vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 1-methyl-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium iodide IUPAC Name: 1-methyl-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium iodide Traditional Name: 2-[(E)-2-(4-benzoxyphenyl)vinyl]-1-methyl-pyridin-1-ium iodide Formula: C21H20INO MolecularWeight: 429.29407

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H20NO.HI/c1-22-16-6-5-9-20(22)13-10-18-11-14-21(15-12-18)23-17-19-7-3-2-4-8-19;/h2-16H,17H2,1H3;1H/q+1;/p-1/b13-10+;