(3Z,5E)-3,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-methyl-piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-3,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-methyl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-1-methyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-methyl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-methylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-3,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-1-methyl-piperidin-1-ium-4-one Formula: C24H24NO5+ MolecularWeight: 406.45106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=CC2=CC3=C(C=C2)OCCO3)C(=O)C(=CC4=CC5=C(C=C4)OCCO5)C1

Isomeric SMILES

C[NH+]1C/C(=C\C2=CC3=C(C=C2)OCCO3)/C(=O)/C(=C\C4=CC5=C(C=C4)OCCO5)/C1

InChI

InChI=1S/C24H23NO5/c1-25-14-18(10-16-2-4-20-22(12-16)29-8-6-27-20)24(26)19(15-25)11-17-3-5-21-23(13-17)30-9-7-28-21/h2-5,10-13H,6-9,14-15H2,1H3/p+1/b18-10-,19-11+