(3E,5E)-3,5-bis[[3,4-bis(oxidanyl)phenyl]methylidene]piperidin-1-ium-4-one chloride

Systemtic Name: (3E,5E)-3,5-bis[[3,4-bis(oxidanyl)phenyl]methylidene]piperidin-1-ium-4-one chloride Openeye Name: (3E,5E)-3,5-bis[(3,4-dihydroxyphenyl)methylene]piperidin-1-ium-4-one chloride CAS Name: (3E,5E)-3,5-bis[(3,4-dihydroxyphenyl)methylidene]-4-piperidin-1-iumone chloride IUPAC Name: (3E,5E)-3,5-bis[(3,4-dihydroxyphenyl)methylidene]piperidin-1-ium-4-one chloride Traditional Name: (3E,5E)-3,5-bis(3,4-dihydroxybenzylidene)piperidin-1-ium-4-one chloride Formula: C19H18ClNO5 MolecularWeight: 375.80292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC(=C(C=C2)O)O)C(=O)C(=CC3=CC(=C(C=C3)O)O)C[NH2+]1.[Cl-]

Isomeric SMILES

C\1[NH2+]C/C(=C\C2=CC(=C(C=C2)O)O)/C(=O)/C1=C/C3=CC(=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C19H17NO5.ClH/c21-15-3-1-11(7-17(15)23)5-13-9-20-10-14(19(13)25)6-12-2-4-16(22)18(24)8-12;/h1-8,20-24H,9-10H2;1H/b13-5+,14-6+;