(3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one iodide

Systemtic Name: (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one iodide Openeye Name: (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one iodide CAS Name: (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]-4-piperidin-1-iumone iodide IUPAC Name: (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one iodide Traditional Name: (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one iodide Formula: C25H26INO MolecularWeight: 483.38451

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C1)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C25H26NO.HI/c1-26(2)19-23(17-9-15-21-11-5-3-6-12-21)25(27)24(20-26)18-10-16-22-13-7-4-8-14-22;/h3-18H,19-20H2,1-2H3;1H/q+1;/p-1/b15-9+,16-10+,23-17+,24-18+;