(3Z,5E)-3,5-bis[(4-chloranyl-3-nitro-phenyl)methylidene]-1-methyl-piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-3,5-bis[(4-chloranyl-3-nitro-phenyl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis[(4-chloro-3-nitro-phenyl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(4-chloro-3-nitrophenyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis[(4-chloro-3-nitrophenyl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-3,5-bis(4-chloro-3-nitro-benzylidene)-1-methyl-piperidin-1-ium-4-one Formula: C20H16Cl2N3O5+ MolecularWeight: 449.26414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl2N3O5/c1-23-10-14(6-12-2-4-16(21)18(8-12)24(27)28)20(26)15(11-23)7-13-3-5-17(22)19(9-13)25(29)30/h2-9H,10-11H2,1H3/p+1/b14-6-,15-7+