(3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-propan-2-yl-piperidin-1-ium-4-one

Systemtic Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-propan-2-yl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-isopropyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-propan-2-yl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-propan-2-ylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-1-isopropyl-3,5-dipiperonylidene-piperidin-1-ium-4-one Formula: C24H24NO5+ MolecularWeight: 406.45106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[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)C

InChI

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