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

Systemtic Name: (3E,5E)-1-(phenylmethyl)-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one Openeye Name: (3E,5E)-1-benzyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one CAS Name: (3E,5E)-1-(phenylmethyl)-3,5-bis[(E)-3-phenylprop-2-enylidene]-4-piperidin-1-iumone IUPAC Name: (3E,5E)-1-benzyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one Traditional Name: (3E,5E)-1-benzyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one Formula: C30H28NO+ MolecularWeight: 418.54942

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C[NH+]1CC4=CC=CC=C4

Isomeric SMILES

C\1[NH+](C/C(=C\C=C\C2=CC=CC=C2)/C(=O)/C1=C/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H27NO/c32-30-28(20-10-18-25-12-4-1-5-13-25)23-31(22-27-16-8-3-9-17-27)24-29(30)21-11-19-26-14-6-2-7-15-26/h1-21H,22-24H2/p+1/b18-10+,19-11+,28-20+,29-21+