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

Systemtic Name: (3E)-1-methyl-3,5-bis[(3-nitrophenyl)methylidene]piperidin-1-ium-4-one Openeye Name: (3E)-1-methyl-3,5-bis[(3-nitrophenyl)methylene]piperidin-1-ium-4-one CAS Name: (3E)-1-methyl-3,5-bis[(3-nitrophenyl)methylidene]-4-piperidin-1-iumone IUPAC Name: (3E)-1-methyl-3,5-bis[(3-nitrophenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3E)-1-methyl-3,5-bis(3-nitrobenzylidene)piperidin-1-ium-4-one Formula: C20H18N3O5+ MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5/c1-21-12-16(8-14-4-2-6-18(10-14)22(25)26)20(24)17(13-21)9-15-5-3-7-19(11-15)23(27)28/h2-11H,12-13H2,1H3/p+1/b16-8+,17-9?