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

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C23H28NO4+ MolecularWeight: 382.47272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

InChI

InChI=1S/C23H27NO4/c1-27-22-8-6-7-17(23(22)28-2)9-11-20(25)18-10-12-21(26)19(15-18)16-24-13-4-3-5-14-24/h6-12,15,26H,3-5,13-14,16H2,1-2H3/p+1/b11-9+