(3Z,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-benzyl-3,5-bis[(4-nitrophenyl)methylene]piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(phenylmethyl)-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-benzyl-3,5-bis[(4-nitrophenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-benzyl-3,5-bis(4-nitrobenzylidene)piperidin-1-ium-4-one Formula: C26H22N3O5+ MolecularWeight: 456.46998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O5/c30-26-22(14-19-6-10-24(11-7-19)28(31)32)17-27(16-21-4-2-1-3-5-21)18-23(26)15-20-8-12-25(13-9-20)29(33)34/h1-15H,16-18H2/p+1/b22-14-,23-15+