(3Z,5E)-1-ethyl-3,5-bis[(4-morpholin-4-ylphenyl)methylidene]piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-1-ethyl-3,5-bis[(4-morpholin-4-ylphenyl)methylidene]piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-ethyl-3,5-bis[(4-morpholinophenyl)methylene]piperidin-1-ium-4-one CAS Name: (3Z,5E)-1-ethyl-3,5-bis[[4-(4-morpholinyl)phenyl]methylidene]-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-ethyl-3,5-bis[(4-morpholin-4-ylphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-ethyl-3,5-bis(4-morpholinobenzylidene)piperidin-1-ium-4-one Formula: C29H36N3O3+ MolecularWeight: 474.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC(=CC2=CC=C(C=C2)N3CCOCC3)C(=O)C(=CC4=CC=C(C=C4)N5CCOCC5)C1

Isomeric SMILES

CC[NH+]1C/C(=C\C2=CC=C(C=C2)N3CCOCC3)/C(=O)/C(=C\C4=CC=C(C=C4)N5CCOCC5)/C1

InChI

InChI=1S/C29H35N3O3/c1-2-30-21-25(19-23-3-7-27(8-4-23)31-11-15-34-16-12-31)29(33)26(22-30)20-24-5-9-28(10-6-24)32-13-17-35-18-14-32/h3-10,19-20H,2,11-18,21-22H2,1H3/p+1/b25-19-,26-20+