(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C23H28NO5+ MolecularWeight: 398.47212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

InChI

InChI=1S/C23H27NO5/c1-28-21-12-16(13-22(29-2)23(21)27)6-8-19(25)17-7-9-20(26)18(14-17)15-24-10-4-3-5-11-24/h6-9,12-14,26-27H,3-5,10-11,15H2,1-2H3/p+1/b8-6+