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

Systemtic Name: (3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methyl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methyl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-methyl-3,5-dipiperonylidene-piperidin-1-ium-4-one Formula: C22H20NO5+ MolecularWeight: 378.3979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO5/c1-23-10-16(6-14-2-4-18-20(8-14)27-12-25-18)22(24)17(11-23)7-15-3-5-19-21(9-15)28-13-26-19/h2-9H,10-13H2,1H3/p+1/b16-6-,17-7+