(3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-ethyl-piperidin-1-ium-4-one

Systemtic Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-ethyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-ethylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-1-ethyl-3,5-dipiperonylidene-piperidin-1-ium-4-one Formula: C23H22NO5+ MolecularWeight: 392.42448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC5=C(C=C4)OCO5)C1

Isomeric SMILES

CC[NH+]1C/C(=C\C2=CC3=C(OCO3)C=C2)/C(=O)/C(=C/C4=CC5=C(OCO5)C=C4)/C1

InChI

InChI=1S/C23H21NO5/c1-2-24-11-17(7-15-3-5-19-21(9-15)28-13-26-19)23(25)18(12-24)8-16-4-6-20-22(10-16)29-14-27-20/h3-10H,2,11-14H2,1H3/p+1/b17-7+,18-8+