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

Systemtic Name: (3E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-propyl-piperidin-1-ium-4-one Openeye Name: (3E)-3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-propyl-piperidin-1-ium-4-one CAS Name: (3E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-propyl-4-piperidin-1-iumone IUPAC Name: (3E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-propylpiperidin-1-ium-4-one Traditional Name: (3E)-3,5-dipiperonylidene-1-propyl-piperidin-1-ium-4-one Formula: C24H24NO5+ MolecularWeight: 406.45106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO5/c1-2-7-25-12-18(8-16-3-5-20-22(10-16)29-14-27-20)24(26)19(13-25)9-17-4-6-21-23(11-17)30-15-28-21/h3-6,8-11H,2,7,12-15H2,1H3/p+1/b18-8+,19-9?