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

Systemtic Name: 3,5-bis[(3-nitrophenyl)methylidene]-1-propyl-piperidin-1-ium-4-one Openeye Name: 3,5-bis[(3-nitrophenyl)methylene]-1-propyl-piperidin-1-ium-4-one CAS Name: 3,5-bis[(3-nitrophenyl)methylidene]-1-propyl-4-piperidin-1-iumone IUPAC Name: 3,5-bis[(3-nitrophenyl)methylidene]-1-propylpiperidin-1-ium-4-one Traditional Name: 3,5-bis(3-nitrobenzylidene)-1-propyl-piperidin-1-ium-4-one Formula: C22H22N3O5+ MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-2-9-23-14-18(10-16-5-3-7-20(12-16)24(27)28)22(26)19(15-23)11-17-6-4-8-21(13-17)25(29)30/h3-8,10-13H,2,9,14-15H2,1H3/p+1