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

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C22H25ClNO4+ MolecularWeight: 402.8912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3)Cl)O

InChI

InChI=1S/C22H24ClNO4/c1-28-21-12-15(11-18(23)22(21)27)5-7-19(25)16-6-8-20(26)17(13-16)14-24-9-3-2-4-10-24/h5-8,11-13,26-27H,2-4,9-10,14H2,1H3/p+1/b7-5+