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

Systemtic Name: iodanium (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one Openeye Name: iodonium (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one CAS Name: iodonium (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]-4-piperidin-1-iumone IUPAC Name: iodanium (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one Traditional Name: iodonium (3E,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one Formula: C25H28INO+2 MolecularWeight: 485.40039

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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.[IH2+]

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.[IH2+]

InChI

InChI=1S/C25H26NO.H2I/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;1H2/q2*+1/b15-9+,16-10+,23-17+,24-18+;